data_4cpg_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 4cpg _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 121.085 0.469 . . . . 2.4 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.617 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 17.5 p-10 -70.62 -20.28 62.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 2.52 109.518 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.46 -27.25 69.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.333 -0.849 . . . . 2.39 111.154 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.487 ' HE3' ' OD2' ' A' ' 63' ' ' ASP . 18.6 mtmt -66.45 -49.42 66.75 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.544 0.688 . . . . 1.98 109.331 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -62.4 -38.68 90.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.473 -1.239 . . . . 3.0 109.725 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.7 tp -53.83 -55.53 25.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.477 -0.783 . . . . 1.28 110.337 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -61.33 -52.89 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.735 -0.666 . . . . 1.42 111.503 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.602 ' OH ' ' HB2' ' A' ' 64' ' ' SER . 77.5 t80 -67.74 -39.1 84.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.147 0.425 . . . . 3.42 112.147 -172.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.08 83.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.089 0.471 . . . . 1.62 110.148 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.9 mt -68.66 -39.81 80.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.675 -0.693 . . . . 1.54 110.025 173.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 22' ' ' ALA . 41.2 mt -53.42 -47.08 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.209 -0.45 . . . . 1.37 111.055 174.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -64.07 -49.83 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 1.68 111.379 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.424 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 68.6 t80 -63.74 -44.79 92.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.246 -0.434 . . . . 2.76 110.695 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.503 ' CD2' HD12 ' A' ' 46' ' ' LEU . 7.5 mp -67.18 -32.32 73.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 1.28 111.034 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.44 -53.98 51.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.539 . . . . 1.62 110.767 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.91 -23.43 41.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.936 -0.575 . . . . 1.98 111.187 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.35 -37.81 83.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.073 -0.714 . . . . 1.92 109.073 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -47.18 87.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.948 -1.024 . . . . 1.76 109.529 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -64.28 -40.05 95.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.395 -0.82 . . . . 4.02 110.767 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -72.75 -22.21 60.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.111 -0.495 . . . . 3.46 111.199 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.85 38.79 18.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.091 -0.576 . . . . 0.58 112.274 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.31 -48.58 85.45 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.096 -0.574 . . . . 0.52 112.562 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 38' ' ' LEU . 2.9 mm? -86.13 -176.22 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.858 0.361 . . . . 1.21 110.428 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 m -83.14 173.66 11.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.223 -0.444 . . . . 1.7 110.146 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -57.0 -59.69 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.758 0.281 . . . . 1.97 111.758 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.55 -36.78 83.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.017 0.436 . . . . 2.2 110.411 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' B' ' 56' ' ' ALA . . . -61.89 -48.94 78.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.58 -0.736 . . . . 1.13 110.666 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.5 -58.15 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 1.74 111.584 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -48.95 -46.95 44.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.392 -0.822 . . . . 2.36 111.93 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 t -67.18 -37.2 83.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.455 0.645 . . . . 1.64 110.076 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.503 HD12 ' CD2' ' A' ' 29' ' ' LEU . 28.6 tp -64.67 -37.87 89.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.358 -0.837 . . . . 1.81 110.888 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.07 -42.47 98.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 1.76 110.036 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.94 -43.2 98.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.766 -0.652 . . . . 1.23 109.751 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.38 80.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.744 -0.662 . . . . 1.12 111.242 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 46' ' ' LEU . 85.4 mt -54.88 -54.59 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 1.35 111.043 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -66.91 -28.23 68.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 1.84 111.249 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.5 m -74.64 -42.11 59.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.368 -0.378 . . . . 1.01 110.475 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.81 -40.14 94.21 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.734 0.302 . . . . 1.37 110.589 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -56.29 -48.02 77.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 1.65 110.358 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 m -76.24 -31.03 58.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.699 -0.682 . . . . 1.75 111.294 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' B' ' 42' ' ' ALA . . . -63.44 -59.19 4.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 1.47 111.86 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 1.642 ' HE2' ' CE1' ' A' ' 57' ' ' PHE . 67.9 m-85 -77.63 -7.39 56.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.032 0.444 . . . . 2.33 110.807 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.06 31.87 72.61 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.744 -0.662 . . . . 2.72 111.931 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.3 m -94.85 163.03 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.792 0.329 . . . . 1.67 110.74 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 p -142.47 -172.04 3.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.907 -0.588 . . . . 2.84 110.282 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.7 p -74.78 -6.23 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.842 0.83 . . . . 2.74 110.09 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.22 -25.44 67.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.083 -0.71 . . . . 4.01 109.083 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.487 ' OD2' ' HE3' ' A' ' 19' ' ' LYS . 9.1 m-20 -72.89 -10.43 59.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.293 -0.867 . . . . 3.62 110.264 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.602 ' HB2' ' OH ' ' A' ' 23' ' ' TYR . 22.6 t -80.56 -33.1 36.41 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.173 -0.677 . . . . 3.27 109.173 173.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.71 -35.6 80.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.748 -0.66 . . . . 3.46 110.24 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 pp -104.09 23.7 12.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 2.39 110.976 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' ' 64' ' ' SER . . . -61.11 144.63 53.19 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.999 0.428 . . . . 1.89 111.106 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.2 mt -79.41 150.21 73.31 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.876 -0.602 . . . . 1.72 110.16 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -40.04 -51.05 3.26 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.92 3.08 . . . . 3.19 113.704 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.88 154.74 26.98 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.106 -0.701 . . . . 3.24 109.106 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.6 p -71.76 140.15 49.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.444 0.64 . . . . 1.99 109.375 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 56.4 mt -63.67 -37.7 31.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.031 -0.986 . . . . 2.33 113.544 -172.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.518 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 58.2 Cg_exo -45.09 -37.46 12.92 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.0 1.8 . . . . 1.23 113.142 171.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.11 -48.7 79.0 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.163 0.506 . . . . 2.28 110.244 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.44 -37.95 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.682 -0.69 . . . . 2.04 110.212 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 13.1 m-30 -66.29 -36.46 83.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 3.08 110.648 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.622 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 42.8 mt-10 -66.85 -20.56 65.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 2.52 110.955 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.94 -59.77 2.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.349 -0.387 . . . . 1.24 111.156 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.07 -40.3 68.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.084 0.772 . . . . 1.47 113.084 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.46 -30.12 42.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.892 0.377 . . . . 1.7 111.196 -175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -80.72 -29.04 36.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.262 0.553 . . . . 2.49 110.638 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.81 98.49 0.49 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.982 -0.628 . . . . 2.64 111.923 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HB2' ' HZ2' ' A' ' 83' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.654 -0.688 . . . . 4.9 109.893 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 21.2 mmt . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.933 0.397 . . . . 4.05 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.34 77.13 9.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.149 0.5 . . . . 2.42 110.767 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.622 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 17.3 p-10 -71.2 -20.14 62.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.968 -0.56 . . . . 2.52 109.612 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.53 -27.3 69.17 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.207 -0.906 . . . . 2.39 111.163 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.502 ' HE3' ' OD2' ' B' ' 63' ' ' ASP . 18.7 mtmt -66.35 -49.46 66.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 121.673 0.749 . . . . 1.97 109.379 175.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -62.36 -38.6 90.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.492 -1.231 . . . . 3.01 109.836 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 28.6 tp -53.87 -55.51 26.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.475 -0.784 . . . . 1.27 110.299 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.436 ' O ' HG13 ' B' ' 26' ' ' ILE . . . -61.34 -52.96 62.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.667 -0.697 . . . . 1.42 111.432 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.609 ' OH ' ' HB2' ' B' ' 64' ' ' SER . 77.5 t80 -67.72 -39.07 84.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.199 0.444 . . . . 3.41 112.199 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.01 82.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 1.62 110.179 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 32.4 mt -68.77 -39.87 80.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.55 -0.75 . . . . 1.54 109.85 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.436 HG13 ' O ' ' B' ' 22' ' ' ALA . 41.4 mt -53.41 -47.02 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.309 -0.405 . . . . 1.37 111.055 174.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -64.15 -49.66 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 1.67 111.491 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . 0.418 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 68.9 t80 -63.96 -44.47 92.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.123 -0.489 . . . . 2.76 110.816 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.505 ' CD2' HD12 ' B' ' 46' ' ' LEU . 7.5 mp -67.39 -32.4 73.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 1.28 110.933 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -56.38 -53.97 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.528 . . . . 1.63 110.734 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.87 -23.33 41.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 1.98 111.324 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.56 -37.69 83.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.016 -0.735 . . . . 1.93 109.016 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -46.97 88.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.874 -1.057 . . . . 1.76 109.625 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -64.74 -39.66 94.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.281 -0.872 . . . . 4.03 110.696 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -73.24 -21.9 60.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.095 -0.502 . . . . 3.47 111.066 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.73 38.58 19.81 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.078 -0.582 . . . . 0.58 112.345 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.28 -48.41 86.28 Favored Glycine 0 C--N 1.329 0.161 0 C-N-CA 121.023 -0.608 . . . . 0.53 112.554 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.432 ' N ' HD23 ' B' ' 38' ' ' LEU . 2.9 mm? -85.97 -175.91 5.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.756 0.313 . . . . 1.21 110.476 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.4 m -83.52 173.66 11.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.323 -0.399 . . . . 1.7 110.001 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -57.1 -59.46 5.04 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.815 0.302 . . . . 1.96 111.815 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.47 -36.98 84.18 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.983 0.421 . . . . 2.21 110.39 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 56' ' ' ALA . . . -61.79 -49.02 78.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.458 -0.792 . . . . 1.13 110.629 177.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -55.47 -58.19 8.8 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.892 -0.594 . . . . 1.74 111.604 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -48.75 -46.88 41.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.407 -0.815 . . . . 2.36 112.045 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -67.29 -37.25 83.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.457 0.646 . . . . 1.64 110.055 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.505 HD12 ' CD2' ' B' ' 29' ' ' LEU . 28.5 tp -64.57 -37.88 89.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.323 -0.853 . . . . 1.81 110.911 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.2 -42.33 98.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.074 -0.512 . . . . 1.75 110.036 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.07 -43.04 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.828 -0.624 . . . . 1.23 109.764 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.68 -44.3 81.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.649 . . . . 1.13 111.173 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 46' ' ' LEU . 85.3 mt -54.81 -54.63 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.073 0.464 . . . . 1.36 111.068 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.69 -28.52 68.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.646 -0.706 . . . . 1.84 111.246 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.1 m -74.71 -41.93 59.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.336 -0.393 . . . . 1.01 110.404 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.75 -40.3 94.63 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.877 0.37 . . . . 1.37 110.596 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.17 -48.33 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.691 -0.686 . . . . 1.66 110.231 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -75.88 -31.45 59.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.704 -0.68 . . . . 1.75 111.189 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -63.16 -59.19 5.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.934 -0.576 . . . . 1.47 111.756 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 1.65 ' HD2' ' CD1' ' B' ' 57' ' ' PHE . 68.0 m-85 -77.59 -7.53 56.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.039 0.447 . . . . 2.32 110.833 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.2 31.88 72.16 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.755 -0.657 . . . . 2.73 111.882 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.9 162.42 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.76 0.314 . . . . 1.67 110.851 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 31.6 p -141.62 -171.91 3.42 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.93 -0.577 . . . . 2.84 110.363 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 p -74.65 -6.25 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.944 0.878 . . . . 2.73 110.339 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.28 -25.4 67.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.1 -0.704 . . . . 4.0 109.1 172.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.502 ' OD2' ' HE3' ' B' ' 19' ' ' LYS . 8.9 m-20 -72.87 -10.49 59.85 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.173 -0.921 . . . . 3.62 110.261 175.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.609 ' HB2' ' OH ' ' B' ' 23' ' ' TYR . 22.8 t -80.57 -33.17 36.28 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.115 -0.698 . . . . 3.28 109.115 173.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.61 -35.65 80.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.721 -0.672 . . . . 3.46 110.303 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 pp -103.98 23.38 13.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 2.39 111.012 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' B' ' 64' ' ' SER . . . -60.82 144.76 51.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 1.89 111.109 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 89.8 mt -79.58 150.25 72.82 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.87 -0.605 . . . . 1.72 110.248 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -40.62 -49.92 4.02 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.96 3.106 . . . . 3.2 113.846 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -114.71 154.77 27.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.02 -0.733 . . . . 3.24 109.02 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 36.7 p -71.84 143.63 49.38 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.878 -0.786 . . . . 1.98 108.878 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 56.4 mt -66.57 -37.35 14.97 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.104 -0.953 . . . . 2.33 113.292 -171.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.517 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 60.6 Cg_exo -45.01 -37.43 12.5 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.064 1.843 . . . . 1.23 113.206 171.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.21 -48.72 78.74 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.105 0.479 . . . . 2.27 110.231 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.4 -38.05 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.63 -0.714 . . . . 2.04 110.189 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 13.2 m-30 -66.17 -36.59 83.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.018 -0.537 . . . . 3.08 110.559 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.617 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 43.1 mt-10 -66.65 -21.86 66.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 2.51 110.866 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.81 -60.5 1.94 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.036 0.446 . . . . 1.24 111.406 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.93 -40.21 68.9 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.12 0.785 . . . . 1.47 113.12 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.43 -30.25 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.822 0.344 . . . . 1.7 111.211 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -80.73 -28.72 36.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.154 0.502 . . . . 2.49 110.659 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.97 98.52 0.48 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.885 -0.674 . . . . 2.63 111.951 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.461 ' HB2' ' HZ2' ' B' ' 83' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.658 -0.687 . . . . 4.9 109.853 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 51.9 m-20 . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 121.034 0.445 . . . . 2.4 110.95 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.549 ' CG ' ' HA ' ' B' ' 81' ' ' THR . 8.2 t30 -78.13 -4.49 47.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.53 0.681 . . . . 2.52 109.672 177.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 22.6 mmtp -57.18 -28.53 62.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.007 -0.997 . . . . 2.39 111.073 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 16' ' ' ASP . 4.3 ptpp? -64.12 -47.18 80.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.429 . . . . 1.98 111.205 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.455 ' HD2' ' OD1' ' A' ' 17' ' ' ASN . 89.1 mtt180 -65.26 -29.84 70.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.3 0.571 . . . . 3.0 109.755 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.517 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 21.7 tp -59.01 -55.81 30.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.189 -0.914 . . . . 1.28 110.235 174.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -44.05 97.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.42 111.122 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.75 -51.72 59.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.767 -0.651 . . . . 3.42 111.356 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.519 ' CB ' ' HB2' ' A' ' 72' ' ' LEU . . . -65.33 -34.25 77.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.115 -0.493 . . . . 1.62 111.377 -177.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 21' ' ' LEU . 79.0 mt -63.37 -46.97 94.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.572 -0.74 . . . . 1.54 109.679 175.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -53.22 -46.25 56.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 1.37 110.52 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -62.91 -53.69 50.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.315 -0.857 . . . . 1.68 112.181 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.536 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 74.5 t80 -67.58 -48.52 66.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.808 0.337 . . . . 2.76 111.039 -176.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.592 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.3 mp -59.42 -33.56 71.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 1.28 111.041 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -55.3 -58.14 8.94 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.031 0.443 . . . . 1.62 110.902 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -40.25 70.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 1.98 111.235 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.12 -38.24 79.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.301 0.572 . . . . 1.92 110.438 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.674 HD22 ' O ' ' A' ' 43' ' ' GLN . 1.3 tm? -64.68 -44.31 90.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.396 -0.82 . . . . 1.76 110.214 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -81.12 -2.46 48.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.865 -0.607 . . . . 4.02 110.935 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -98.71 -5.72 30.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 3.46 110.256 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.74 37.92 61.17 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.98 -0.629 . . . . 0.58 112.166 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.11 -55.05 32.73 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.083 -0.58 . . . . 0.52 112.827 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 38' ' ' LEU . 3.0 mm? -92.5 -177.66 4.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.926 -0.161 . . . . 1.21 110.653 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -73.45 -179.75 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.69 -0.232 . . . . 1.7 110.906 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 t -64.87 -53.64 43.52 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.382 -0.198 . . . . 1.97 111.398 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.83 -42.99 94.76 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.174 0.512 . . . . 2.2 110.155 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' B' ' 56' ' ' ALA . . . -66.58 -34.59 78.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.104 -0.953 . . . . 1.13 110.939 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.674 ' O ' HD22 ' A' ' 33' ' ' LEU . 8.9 tt0 -58.44 -51.5 69.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 1.74 110.508 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.39 -32.15 69.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.816 -0.629 . . . . 2.36 110.585 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -73.82 -35.68 64.88 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.649 -0.705 . . . . 1.64 111.452 -175.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 50' ' ' ILE . 16.9 mt -61.58 -45.71 92.97 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 120.814 -0.354 . . . . 1.81 110.059 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.3 -46.69 69.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.526 -0.761 . . . . 1.76 110.587 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.09 -44.21 88.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 1.23 110.265 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.84 -38.63 79.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.964 -0.562 . . . . 1.12 111.547 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 46' ' ' LEU . 86.0 mt -56.85 -55.71 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.725 0.298 . . . . 1.35 110.737 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -61.95 -35.01 77.17 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.305 -0.407 . . . . 1.84 111.504 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.8 m -65.5 -49.25 69.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.566 -0.288 . . . . 1.01 110.903 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.25 -41.18 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.67 0.271 . . . . 1.37 110.807 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -56.47 -52.85 63.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.038 -0.528 . . . . 1.65 110.631 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 m -68.22 -31.99 71.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.697 -0.683 . . . . 1.75 111.308 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.645 ' O ' ' HB2' ' B' ' 42' ' ' ALA . . . -73.9 -43.45 58.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.084 -0.507 . . . . 1.47 112.158 -175.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 1.662 ' HD2' ' CD1' ' A' ' 57' ' ' PHE . 43.1 m-85 -82.84 -20.29 35.92 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.995 0.426 . . . . 2.33 110.82 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.61 32.77 40.49 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.759 -0.655 . . . . 2.72 111.836 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.96 158.36 8.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.723 0.297 . . . . 1.67 111.269 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 p -141.52 -170.45 3.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.944 -0.571 . . . . 2.84 110.017 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.3 p -63.18 -15.2 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.347 0.594 . . . . 2.74 110.934 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -63.07 -23.73 67.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.186 0.517 . . . . 4.01 110.198 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -71.54 -23.56 61.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.432 0.634 . . . . 3.62 109.385 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 t -71.93 -26.55 62.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.639 -0.71 . . . . 3.27 109.806 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.6 -41.06 93.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 3.46 110.038 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 pp -95.77 25.71 4.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.908 -0.587 . . . . 2.39 111.129 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.23 159.67 14.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.278 0.561 . . . . 1.89 111.76 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.0 mt -86.43 158.49 54.6 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.623 -0.717 . . . . 1.72 110.669 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -43.15 -49.79 6.92 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.197 2.598 . . . . 3.19 113.107 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -112.18 172.84 6.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.206 -0.452 . . . . 3.24 109.793 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.1 p -81.64 143.25 32.05 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.266 0.555 . . . . 1.99 110.068 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.519 ' HB2' ' CB ' ' A' ' 24' ' ' ALA . 3.5 mm? -69.07 -42.89 23.76 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.603 -0.726 . . . . 2.33 111.787 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.536 ' CG ' ' HB2' ' A' ' 28' ' ' PHE . 91.6 Cg_exo -42.53 -42.18 8.14 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.54 2.16 . . . . 1.23 112.709 170.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.4 -43.72 93.53 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.25 -0.432 . . . . 2.28 110.684 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.7 mt -63.5 -35.52 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.201 0.524 . . . . 2.04 110.059 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 19.3 m-30 -66.99 -27.06 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.694 -0.685 . . . . 3.08 111.056 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 46.2 mt-10 -84.21 -27.94 27.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.842 0.353 . . . . 2.52 110.727 178.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 81' ' ' THR . . . -89.58 -62.01 1.57 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.274 -0.421 . . . . 1.24 111.995 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.99 -44.9 11.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.877 0.37 . . . . 1.47 111.36 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 76' ' ' PHE . . . -72.25 -4.77 31.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.209 -0.451 . . . . 1.7 112.104 -175.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.573 ' HA ' ' CG ' ' B' ' 17' ' ' ASN . 6.4 t -76.23 -13.88 60.16 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.509 -0.476 . . . . 2.49 110.357 176.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.1 -87.21 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.909 -0.662 . . . . 2.64 111.928 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.172 -0.677 . . . . 4.9 109.172 179.327 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.295 -0.261 . . . . 4.05 110.295 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.514 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 53.5 m-20 -114.34 77.99 1.11 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.954 0.407 . . . . 2.42 110.932 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.573 ' CG ' ' HA ' ' A' ' 81' ' ' THR . 8.1 t30 -77.5 -5.41 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.613 0.72 . . . . 2.52 109.723 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 22.4 mmtp -56.42 -28.71 60.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.962 -1.017 . . . . 2.39 111.167 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 16' ' ' ASP . 4.3 ptpp? -64.07 -47.19 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 1.97 111.259 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.453 ' HD2' ' OD1' ' B' ' 17' ' ' ASN . 89.1 mtt180 -65.1 -30.0 70.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.398 0.618 . . . . 3.01 109.814 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.515 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 21.9 tp -58.85 -56.03 27.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.14 -0.936 . . . . 1.27 110.213 174.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.1 97.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 1.42 111.138 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.8 -51.61 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.745 -0.662 . . . . 3.41 111.364 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.536 ' CB ' ' HB2' ' B' ' 72' ' ' LEU . . . -65.34 -34.33 78.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.161 0.505 . . . . 1.62 111.341 -177.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.456 HG13 ' O ' ' B' ' 21' ' ' LEU . 79.2 mt -63.47 -46.82 94.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.462 -0.79 . . . . 1.54 109.687 175.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.25 -46.28 56.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.963 -0.562 . . . . 1.37 110.487 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -63.01 -53.6 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.321 -0.854 . . . . 1.67 112.19 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . 0.538 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 74.6 t80 -67.59 -48.56 66.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.73 0.3 . . . . 2.76 111.025 -176.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.4 mp -59.28 -33.59 71.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 1.28 111.116 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -55.27 -58.27 8.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 1.63 110.913 176.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.12 -40.38 71.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 1.98 111.26 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.21 -38.14 79.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.253 0.549 . . . . 1.93 110.305 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.68 HD22 ' O ' ' B' ' 43' ' ' GLN . 1.3 tm? -64.76 -44.07 91.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.533 -0.758 . . . . 1.76 110.271 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -81.09 -2.88 50.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.927 -0.579 . . . . 4.03 111.076 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -98.41 -5.79 31.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 3.47 110.4 174.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.77 37.78 61.11 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.79 -0.641 . . . . 0.58 112.185 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.94 -54.9 33.78 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.207 -0.52 . . . . 0.53 112.844 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.417 ' N ' HD23 ' B' ' 38' ' ' LEU . 3.0 mm? -92.65 -177.49 4.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.471 0.177 . . . . 1.21 110.607 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -73.61 -179.77 3.72 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.658 -0.246 . . . . 1.7 110.941 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.7 t -64.79 -53.71 42.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.541 0.21 . . . . 1.96 111.35 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.83 -42.83 94.43 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.423 0.63 . . . . 2.21 110.151 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 56' ' ' ALA . . . -66.65 -34.58 78.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.031 -0.986 . . . . 1.13 111.027 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.68 ' O ' HD22 ' B' ' 33' ' ' LEU . 9.0 tt0 -58.65 -51.32 70.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.503 -0.771 . . . . 1.74 110.495 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.43 -32.19 69.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.89 -0.595 . . . . 2.36 110.646 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.1 t -73.74 -35.59 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.632 -0.713 . . . . 1.64 111.506 -175.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.532 ' O ' HG13 ' B' ' 50' ' ' ILE . 16.7 mt -61.7 -45.73 92.72 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.802 -0.359 . . . . 1.81 110.087 176.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.32 -46.59 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.455 -0.793 . . . . 1.75 110.616 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.07 -44.31 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.054 -0.521 . . . . 1.23 110.302 177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.61 78.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.915 -0.584 . . . . 1.13 111.601 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 46' ' ' LEU . 86.3 mt -56.79 -55.54 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.746 0.308 . . . . 1.36 110.789 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -62.02 -35.21 77.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 1.84 111.454 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.0 m -65.31 -49.26 70.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.489 -0.323 . . . . 1.01 110.912 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.24 -41.23 99.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.626 0.25 . . . . 1.37 110.835 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -56.46 -52.93 62.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.024 -0.534 . . . . 1.66 110.608 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -68.11 -32.11 72.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.744 -0.662 . . . . 1.75 111.248 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.616 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -73.79 -43.41 58.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.175 -0.466 . . . . 1.47 112.249 -175.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 1.65 ' HE2' ' CE1' ' B' ' 57' ' ' PHE . 43.0 m-85 -82.89 -20.18 35.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.077 0.465 . . . . 2.32 110.756 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.38 33.03 40.7 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.638 -0.71 . . . . 2.73 111.803 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.07 158.11 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.764 0.316 . . . . 1.67 111.251 -175.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -141.39 -171.1 3.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.843 -0.617 . . . . 2.84 110.058 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.7 p -62.64 -15.16 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.263 0.554 . . . . 2.73 111.004 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.16 -23.62 67.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.193 0.52 . . . . 4.0 110.325 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -71.5 -23.79 61.86 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.231 -0.655 . . . . 3.62 109.231 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 9.8 t -71.61 -26.94 62.79 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.752 -0.658 . . . . 3.28 109.739 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.1 -41.35 95.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.971 -0.559 . . . . 3.46 110.028 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -95.65 25.65 4.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 2.39 111.093 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 159.58 14.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.324 0.583 . . . . 1.89 111.761 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 92.8 mt -86.35 158.29 55.06 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.585 -0.734 . . . . 1.72 110.718 -178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -43.13 -49.38 7.2 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.205 2.603 . . . . 3.2 113.303 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -112.35 173.01 6.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 3.24 109.799 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 33.0 p -81.73 145.11 30.67 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.31 0.576 . . . . 1.98 109.843 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.536 ' HB2' ' CB ' ' B' ' 24' ' ' ALA . 3.5 mm? -70.55 -42.88 15.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.624 -0.716 . . . . 2.33 111.655 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.538 ' CG ' ' HB2' ' B' ' 28' ' ' PHE . 91.1 Cg_exo -42.6 -41.97 8.25 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.473 2.115 . . . . 1.23 112.706 170.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.51 -43.79 92.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 2.27 110.663 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 44.9 mt -63.38 -35.76 73.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.192 0.52 . . . . 2.04 110.021 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 19.3 m-30 -66.76 -27.5 67.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.642 -0.708 . . . . 3.08 110.987 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.2 mt-10 -83.36 -29.13 28.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.958 0.409 . . . . 2.51 110.8 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.423 ' O ' HG23 ' B' ' 81' ' ' THR . . . -88.05 -62.48 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.25 0.463 . . . . 1.24 112.25 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.97 -45.27 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.916 0.388 . . . . 1.47 111.391 -174.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' B' ' 76' ' ' PHE . . . -69.7 -9.46 54.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.011 -0.541 . . . . 1.7 112.193 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.549 ' HA ' ' CG ' ' A' ' 17' ' ' ASN . 6.0 t -73.23 -13.92 61.24 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.542 -0.463 . . . . 2.49 110.667 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.26 -87.12 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.798 -0.715 . . . . 2.63 112.059 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.094 -0.706 . . . . 4.9 109.094 179.325 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.855 0.36 . . . . 2.4 110.601 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.15 -24.93 54.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.298 -0.41 . . . . 2.52 110.078 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -51.32 -46.67 62.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.833 -0.621 . . . . 2.39 111.645 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -71.09 -42.49 69.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.434 . . . . 1.98 111.453 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.79 -33.94 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.098 0.475 . . . . 3.0 110.615 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.1 tp -58.16 -50.35 73.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.605 -0.725 . . . . 1.28 110.492 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.47 ' HB3' ' CD1' ' A' ' 57' ' ' PHE . . . -61.31 -49.86 75.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 1.42 110.837 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 1.625 ' HE2' ' CE1' ' A' ' 23' ' ' TYR . 22.1 t80 -55.36 -48.15 74.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.815 -0.629 . . . . 3.42 111.622 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.485 ' HB1' HD22 ' A' ' 72' ' ' LEU . . . -58.9 -42.84 90.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.056 -0.52 . . . . 1.62 111.294 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.0 mt -69.32 -36.48 72.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.55 -0.75 . . . . 1.54 110.311 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 22' ' ' ALA . 52.0 mt -57.18 -49.64 79.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 1.37 110.928 174.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.486 ' O ' ' HB3' ' A' ' 30' ' ' HIS . 15.7 mm100 -71.33 -37.65 71.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 1.68 111.769 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.649 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 65.2 t80 -70.13 -48.27 58.19 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.697 -0.401 . . . . 2.76 110.547 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.675 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.5 mp -66.56 -23.92 66.28 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.299 -0.41 . . . . 1.28 110.559 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.486 ' HB3' ' O ' ' A' ' 27' ' ' GLN . 29.8 t-80 -57.6 -55.38 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.263 0.554 . . . . 1.62 110.72 173.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.15 -39.32 49.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.829 -0.623 . . . . 1.98 110.977 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -59.75 -30.5 68.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 1.92 110.385 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.675 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -64.0 -50.44 68.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 1.76 109.868 177.567 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -71.68 -25.33 62.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.72 . . . . 4.02 111.215 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -85.13 -10.93 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.738 0.304 . . . . 3.46 111.499 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.14 43.53 63.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.958 -0.639 . . . . 0.58 111.961 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.43 -45.55 92.84 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.426 -0.416 . . . . 0.52 113.542 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.77 -106.13 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.934 0.367 . . . . 1.21 111.57 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.509 ' H ' ' HB1' ' A' ' 42' ' ' ALA . 22.7 t -141.71 -177.12 5.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.669 -0.242 . . . . 1.7 110.363 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.5 t -65.63 -55.91 15.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.653 0.264 . . . . 1.97 111.061 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.04 -27.09 68.87 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.207 0.527 . . . . 2.2 110.53 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.509 ' HB1' ' H ' ' A' ' 39' ' ' SER . . . -72.67 -35.22 67.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.723 -0.672 . . . . 1.13 110.824 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.538 ' O ' HD22 ' A' ' 33' ' ' LEU . 15.9 mt-30 -57.97 -62.38 1.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.995 -0.548 . . . . 1.74 111.427 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.37 -34.78 58.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.938 -0.573 . . . . 2.36 111.271 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.2 m -67.46 -39.16 85.3 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.655 -0.248 . . . . 1.64 111.145 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.505 ' O ' HG13 ' A' ' 50' ' ' ILE . 36.3 mt -61.71 -48.51 80.43 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 110.075 -0.343 . . . . 1.81 110.075 177.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.16 -44.52 83.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 1.76 110.851 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.69 -45.11 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.374 -0.375 . . . . 1.23 110.45 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.56 92.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 1.12 111.37 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 46' ' ' LEU . 87.5 mt -55.92 -48.6 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.402 . . . . 1.35 110.448 177.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -67.89 -37.68 82.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.018 -0.537 . . . . 1.84 110.882 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.0 m -64.52 -47.73 77.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.398 . . . . 1.01 110.89 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.8 -31.45 72.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.605 -0.27 . . . . 1.37 110.716 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.68 -55.07 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 1.65 110.218 176.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.2 m -69.79 -30.16 67.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.456 . . . . 1.75 111.012 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.05 -61.76 2.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 1.47 111.74 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 22' ' ' ALA . 92.3 m-85 -79.97 -12.0 59.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.124 0.487 . . . . 2.33 110.883 -178.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.74 38.71 49.78 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.533 -0.758 . . . . 2.72 111.401 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.8 m -101.23 155.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.922 0.391 . . . . 1.67 111.456 -174.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.1 p -141.21 -170.81 3.14 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.637 -0.71 . . . . 2.84 109.745 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.83 -9.28 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.49 0.662 . . . . 2.74 110.673 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.18 -28.32 69.58 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.27 0.557 . . . . 4.01 110.025 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' HA ' ' HG ' ' A' ' 66' ' ' LEU . 7.1 t70 -69.39 -23.1 63.68 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 115.686 -0.688 . . . . 3.62 109.497 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 8.5 t -70.89 -31.87 68.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.89 -0.596 . . . . 3.27 109.986 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -68.39 -28.99 67.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.501 . . . . 3.46 110.852 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' HG ' ' HA ' ' A' ' 63' ' ' ASP . 3.7 pp -106.07 23.22 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.336 -0.393 . . . . 2.39 110.933 176.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.68 145.06 55.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 1.89 112.127 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.48 155.39 91.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.256 -0.884 . . . . 1.72 109.784 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -45.27 -48.1 11.86 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.813 3.009 . . . . 3.19 113.676 -173.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -120.49 169.44 10.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.658 -0.246 . . . . 3.24 110.412 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -69.56 140.13 53.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.263 0.554 . . . . 1.99 110.094 174.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.485 HD22 ' HB1' ' A' ' 24' ' ' ALA . 3.5 mm? -80.33 -35.38 0.88 Allowed Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.024 1.12 . . . . 2.33 114.024 -172.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.489 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 83.8 Cg_exo -48.33 -35.52 27.78 Favored 'Trans proline' 0 C--N 1.355 0.897 0 CA-C-N 121.068 1.417 . . . . 1.23 112.652 172.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.37 -43.94 80.18 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.975 0.417 . . . . 2.28 110.174 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.28 -40.55 78.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.864 -0.607 . . . . 2.04 110.159 173.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 73' ' ' PRO . 14.2 m-30 -61.9 -43.11 99.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.804 -0.634 . . . . 3.08 110.454 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 47.5 mt-10 -61.44 -26.96 68.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.94 0.4 . . . . 2.52 111.071 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.78 -49.03 7.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 1.24 111.818 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.55 -45.14 12.89 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.542 0.571 . . . . 1.47 112.542 -172.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -65.44 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.323 -0.399 . . . . 1.7 111.813 -171.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 t -85.95 5.14 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.906 0.384 . . . . 2.49 110.656 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.22 -22.3 63.28 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.893 -0.67 . . . . 2.64 112.249 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 119.108 -0.472 . . . . 4.9 110.236 179.839 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' B' ' 15' ' ' MET . 1.7 mpt? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.937 -0.394 . . . . 4.05 109.937 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.84 114.86 18.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.305 -0.407 . . . . 2.42 110.654 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -76.59 -24.74 53.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.302 -0.408 . . . . 2.52 109.976 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -51.31 -46.67 62.62 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.758 -0.655 . . . . 2.39 111.551 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -71.25 -42.36 68.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 1.97 111.438 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.88 -33.87 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.057 0.456 . . . . 3.01 110.577 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 17.9 tp -58.22 -50.24 74.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.632 -0.713 . . . . 1.27 110.393 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' B' ' 57' ' ' PHE . . . -61.45 -49.76 75.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.959 -0.564 . . . . 1.42 110.75 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 1.652 ' HE1' ' CE2' ' B' ' 23' ' ' TYR . 21.7 t80 -55.48 -48.09 75.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.875 -0.602 . . . . 3.41 111.562 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.495 ' HB1' HD22 ' B' ' 72' ' ' LEU . . . -58.95 -42.81 90.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.196 0.522 . . . . 1.62 111.295 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.41 -36.46 71.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.488 -0.778 . . . . 1.54 110.317 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.445 HG13 ' O ' ' B' ' 22' ' ' ALA . 51.4 mt -57.2 -49.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 1.37 110.934 174.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.484 ' O ' ' HB3' ' B' ' 30' ' ' HIS . 15.7 mm100 -71.38 -37.7 71.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.404 -0.362 . . . . 1.67 111.791 -176.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . 1.619 ' HD2' ' CD1' ' B' ' 28' ' ' PHE . 65.5 t80 -70.1 -48.32 58.12 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.776 -0.37 . . . . 2.76 110.511 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.653 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.5 mp -66.57 -23.75 66.25 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.344 -0.389 . . . . 1.28 110.601 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' B' ' 27' ' ' GLN . 30.2 t-80 -57.77 -55.36 35.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.227 0.537 . . . . 1.63 110.697 173.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.05 -39.41 50.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.875 -0.602 . . . . 1.98 110.838 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -59.74 -30.49 68.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.173 0.511 . . . . 1.93 110.505 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.653 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 1.0 OUTLIER -63.93 -50.59 68.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.741 -0.663 . . . . 1.76 109.869 177.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -71.48 -25.36 62.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.552 -0.749 . . . . 4.03 111.187 -177.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -85.1 -11.21 55.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.712 0.291 . . . . 3.47 111.441 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.77 42.56 61.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.946 -0.645 . . . . 0.58 112.005 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.01 -45.31 92.49 Favored Glycine 0 C--N 1.329 0.182 0 C-N-CA 121.426 -0.416 . . . . 0.53 113.552 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.74 -107.12 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.857 0.328 . . . . 1.21 111.529 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.506 ' H ' ' HB1' ' B' ' 42' ' ' ALA . 22.2 t -140.17 -176.77 4.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.644 -0.253 . . . . 1.7 110.57 -177.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.7 t -65.84 -55.76 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.685 0.279 . . . . 1.96 111.021 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.11 -27.16 68.9 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.226 0.536 . . . . 2.21 110.543 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.506 ' HB1' ' H ' ' B' ' 39' ' ' SER . . . -72.56 -35.19 67.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.712 -0.676 . . . . 1.13 110.832 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.535 ' O ' HD22 ' B' ' 33' ' ' LEU . 15.9 mt-30 -58.14 -62.32 1.91 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.028 -0.533 . . . . 1.74 111.418 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -53.28 -34.85 58.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.065 -0.516 . . . . 2.36 111.357 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.6 m -67.19 -39.31 86.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.626 -0.261 . . . . 1.64 111.186 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.501 ' O ' HG13 ' B' ' 50' ' ' ILE . 35.6 mt -61.74 -48.44 80.69 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 110.098 -0.334 . . . . 1.81 110.098 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.15 -44.64 83.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 1.75 110.947 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 81.5 t -66.66 -45.07 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 1.23 110.45 177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.58 92.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.302 -0.408 . . . . 1.13 111.405 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 46' ' ' LEU . 88.0 mt -55.82 -48.61 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 1.36 110.517 177.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -67.81 -37.8 82.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 1.84 110.834 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.4 m -64.67 -47.48 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 1.01 110.922 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.97 -31.39 71.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.709 0.29 . . . . 1.37 110.679 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -58.76 -55.05 40.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 1.66 110.307 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.8 m -69.82 -30.11 67.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 1.75 110.926 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.0 -61.87 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 1.47 111.774 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' B' ' 22' ' ' ALA . 92.5 m-85 -80.05 -11.58 59.76 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.021 0.439 . . . . 2.32 110.851 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.49 38.81 51.65 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.62 -0.718 . . . . 2.73 111.386 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.1 m -101.49 155.79 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.093 0.473 . . . . 1.67 111.404 -174.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.2 p -141.25 -171.51 3.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.417 -0.811 . . . . 2.84 109.802 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.9 p -68.2 -9.27 10.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.524 0.678 . . . . 2.73 110.786 176.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.18 -28.28 69.56 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.302 0.572 . . . . 4.0 110.045 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.404 ' HA ' ' HG ' ' B' ' 66' ' ' LEU . 7.2 t70 -69.59 -22.98 63.47 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.631 -0.713 . . . . 3.62 109.439 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.407 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 8.6 t -70.87 -32.15 69.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.873 -0.603 . . . . 3.28 109.997 178.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -68.02 -29.11 68.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 3.46 110.822 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.404 ' HG ' ' HA ' ' B' ' 63' ' ' ASP . 3.7 pp -106.02 23.21 14.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.967 0.413 . . . . 2.39 110.886 176.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.57 144.89 55.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.856 -0.611 . . . . 1.89 112.226 -175.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.3 155.26 91.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.204 -0.907 . . . . 1.72 109.833 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -45.24 -47.83 12.13 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.832 3.021 . . . . 3.2 113.822 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -120.76 169.52 10.33 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.383 -0.228 . . . . 3.24 110.383 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.1 p -69.93 143.56 52.67 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.3 0.572 . . . . 1.98 109.576 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.495 HD22 ' HB1' ' B' ' 24' ' ' ALA . 3.5 mm? -82.68 -35.5 0.68 Allowed Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 113.82 1.044 . . . . 2.33 113.82 -172.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.487 ' HA ' ' CD2' ' B' ' 76' ' ' PHE . 81.0 Cg_exo -48.31 -35.35 27.2 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.401 1.401 . . . . 1.23 112.625 172.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.58 -43.9 79.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.874 0.368 . . . . 2.27 110.135 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mm -58.28 -40.52 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 115.948 -0.569 . . . . 2.04 110.218 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.487 ' CD2' ' HA ' ' B' ' 73' ' ' PRO . 14.3 m-30 -61.97 -43.03 99.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.806 -0.634 . . . . 3.08 110.427 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 47.8 mt-10 -61.55 -27.19 68.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.802 0.334 . . . . 2.51 110.997 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.34 -49.02 7.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.297 -0.41 . . . . 1.24 111.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.48 -45.19 12.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.407 0.521 . . . . 1.47 112.407 -172.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.1 -64.09 0.98 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.957 0.355 . . . . 1.7 111.957 -170.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.5 t -86.79 4.79 39.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.992 0.425 . . . . 2.49 110.638 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.09 -22.21 63.79 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.066 -0.588 . . . . 2.63 112.284 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.247 0.959 0 CA-C-O 119.113 -0.47 . . . . 4.9 110.158 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 121.205 0.526 . . . . 2.4 110.234 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.47 HD22 ' HB1' ' B' ' 80' ' ' ALA . 22.2 t-20 -82.89 -35.18 26.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.547 -0.752 . . . . 2.52 111.259 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 3.1 mppt? -62.45 -32.67 73.58 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.552 0.575 . . . . 2.39 112.552 -170.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -65.46 -39.08 91.57 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.91 -0.316 . . . . 1.98 111.04 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' NH2' ' HA ' ' B' ' 81' ' ' THR . 35.4 mtm180 -74.72 -32.97 62.29 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.451 -0.574 . . . . 3.0 109.451 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.473 ' HB3' ' HA ' ' A' ' 18' ' ' LYS . 9.5 tp -54.31 -50.04 68.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.987 -1.006 . . . . 1.28 110.084 172.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.603 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -56.7 -53.38 58.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.534 -0.757 . . . . 1.42 111.116 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 29.9 t80 -55.33 -44.49 75.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 3.42 111.504 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.52 ' CB ' ' HB2' ' A' ' 72' ' ' LEU . . . -59.73 -42.46 93.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.169 0.509 . . . . 1.62 111.087 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 74.0 mt -69.94 -37.65 73.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.388 -0.824 . . . . 1.54 110.4 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 22' ' ' ALA . 61.5 mt -54.63 -49.42 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 1.37 110.547 174.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -68.6 -51.19 45.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.416 -0.357 . . . . 1.68 111.879 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.667 ' HE1' ' CE2' ' A' ' 28' ' ' PHE . 58.8 t80 -60.19 -48.72 80.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 2.76 110.933 -176.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.598 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.9 mp -69.26 -27.32 65.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.583 -0.28 . . . . 1.28 111.361 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 50.3 t-80 -67.13 -48.86 66.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.393 . . . . 1.62 110.21 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -69.36 -43.67 73.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.986 -0.552 . . . . 1.98 110.555 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.873 -0.603 . . . . 1.92 110.444 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 1.5 tm? -62.39 -52.83 62.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 1.76 109.782 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -69.13 -30.57 68.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 4.02 110.512 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -76.05 -24.79 55.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 3.46 111.048 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.64 39.74 8.07 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.154 -0.545 . . . . 0.58 112.279 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.91 -42.58 99.65 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.169 -0.539 . . . . 0.52 113.504 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.437 HD21 HD12 ' A' ' 46' ' ' LEU . 3.4 mm? -104.06 -173.96 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.815 0.307 . . . . 1.21 110.77 -177.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -77.65 -171.78 2.33 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.55 -0.296 . . . . 1.7 111.028 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.9 m -67.87 -58.81 3.96 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.104 0.409 . . . . 1.97 112.104 -173.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -62.84 -35.29 79.47 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.465 0.65 . . . . 2.2 109.847 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.14 -36.91 85.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.048 -0.978 . . . . 1.13 110.889 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.506 ' O ' HD22 ' A' ' 33' ' ' LEU . 25.4 tt0 -61.4 -51.26 69.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.627 . . . . 1.74 109.856 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.31 -37.98 73.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.527 -0.76 . . . . 2.36 110.432 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m -66.96 -31.8 72.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.583 -0.735 . . . . 1.64 111.812 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.522 ' HB2' HD21 ' A' ' 33' ' ' LEU . 20.3 mt -61.93 -53.34 57.07 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 121.04 -0.264 . . . . 1.81 110.662 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 39.5 tt0 -55.44 -44.84 76.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.941 -0.572 . . . . 1.76 110.827 -176.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.1 t -61.84 -47.72 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 1.23 110.509 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.52 96.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.017 -0.538 . . . . 1.12 111.393 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 46' ' ' LEU . 83.9 mt -56.19 -50.7 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 1.35 110.735 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 73.3 mm-40 -64.56 -37.17 86.63 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.215 0.531 . . . . 1.84 110.851 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 72.5 m -68.19 -48.18 65.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.817 -0.629 . . . . 1.01 111.282 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.3 -35.57 81.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.563 0.221 . . . . 1.37 110.88 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -57.42 -51.24 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 1.65 109.868 175.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.9 m -67.63 -34.3 76.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.521 -0.763 . . . . 1.75 110.907 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.8 -63.67 1.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.647 -0.706 . . . . 1.47 112.165 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CD2' ' HB3' ' A' ' 22' ' ' ALA . 96.3 m-85 -77.04 -2.53 34.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.839 0.352 . . . . 2.33 111.22 -176.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.71 34.83 66.69 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.105 -0.569 . . . . 2.72 111.743 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -100.29 152.99 4.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.062 0.458 . . . . 1.67 110.842 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.3 p -137.06 -170.06 2.63 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.759 -0.655 . . . . 2.84 109.75 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.54 -12.48 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 121.796 0.808 . . . . 2.74 110.267 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.17 -31.08 72.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.513 0.673 . . . . 4.01 109.446 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' HA ' ' HG ' ' A' ' 66' ' ' LEU . 8.2 m-20 -75.62 -8.0 55.69 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.397 -0.82 . . . . 3.62 110.241 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 22.9 t -80.33 -29.35 38.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.131 -0.692 . . . . 3.27 109.131 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.73 -41.42 92.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 3.46 110.641 175.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 63' ' ' ASP . 3.2 pp -90.34 28.96 1.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.116 0.484 . . . . 2.39 111.407 178.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.6 160.63 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.836 -0.62 . . . . 1.89 111.665 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.449 HD13 HD22 ' A' ' 72' ' ' LEU . 84.8 mt -97.15 158.94 32.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.608 -0.724 . . . . 1.72 110.016 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -43.0 -49.3 7.07 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.584 2.856 . . . . 3.19 114.143 -175.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -123.67 177.11 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.175 -0.306 . . . . 3.24 110.175 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.5 p -70.72 142.1 51.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.237 0.541 . . . . 1.99 109.598 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.52 ' HB2' ' CB ' ' A' ' 24' ' ' ALA . 3.9 mm? -76.59 -34.87 1.4 Allowed Pre-proline 0 C--N 1.321 -0.662 0 CA-C-O 118.531 -0.747 . . . . 2.33 112.671 -176.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.437 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 68.1 Cg_exo -48.0 -31.05 15.08 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.382 1.388 . . . . 1.23 112.604 168.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' HA ' ' HG2' ' A' ' 77' ' ' GLU . 31.9 tt0 -74.89 -35.19 62.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.489 0.661 . . . . 2.28 110.147 176.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.7 mm -63.42 -40.11 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.367 -0.605 . . . . 2.04 109.367 172.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 1.622 ' HE2' ' CE1' ' A' ' 76' ' ' PHE . 11.0 m-30 -66.2 -45.12 81.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.22 -0.9 . . . . 3.08 110.698 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 74' ' ' GLU . 12.5 pt-20 -64.48 -19.1 65.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.844 0.354 . . . . 2.52 110.923 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.94 -63.56 1.28 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.418 -0.356 . . . . 1.24 111.121 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -50.1 38.26 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.259 0.466 . . . . 1.47 112.259 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 76' ' ' PHE . . . -72.98 -11.65 60.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.912 -0.585 . . . . 1.7 111.541 -173.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.425 ' HA ' ' NH2' ' B' ' 20' ' ' ARG . 42.1 m -99.85 -18.36 17.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.282 0.563 . . . . 2.49 110.208 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.81 46.9 2.72 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.935 -0.65 . . . . 2.64 112.798 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.3 tttt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.503 -0.761 . . . . 4.9 109.691 176.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.728 0.299 . . . . 4.05 110.204 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -88.96 132.15 34.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.158 0.504 . . . . 2.42 110.217 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.439 HD22 ' HB1' ' A' ' 80' ' ' ALA . 22.0 t-20 -83.01 -35.08 26.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.561 -0.745 . . . . 2.52 111.157 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.46 ' HB3' ' CE1' ' B' ' 57' ' ' PHE . 3.1 mppt? -62.61 -32.76 73.83 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.44 0.533 . . . . 2.39 112.44 -170.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -65.25 -39.27 92.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.018 -0.273 . . . . 1.97 111.008 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.425 ' NH2' ' HA ' ' A' ' 81' ' ' THR . 35.3 mtm180 -74.58 -33.13 62.58 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.424 -0.584 . . . . 3.01 109.424 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' B' ' 18' ' ' LYS . 9.5 tp -54.21 -50.1 67.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.985 -1.007 . . . . 1.27 110.133 172.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.603 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -56.62 -53.38 58.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.647 -0.706 . . . . 1.42 111.123 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.56 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 30.0 t80 -55.29 -44.58 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 3.41 111.431 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.527 ' CB ' ' HB2' ' B' ' 72' ' ' LEU . . . -59.68 -42.39 92.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.217 0.532 . . . . 1.62 111.106 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 74.2 mt -70.03 -37.58 72.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.435 -0.802 . . . . 1.54 110.409 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 22' ' ' ALA . 61.3 mt -54.61 -49.6 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 1.37 110.43 174.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -68.45 -51.39 44.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 1.67 111.774 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . 1.65 ' HD2' ' CD1' ' B' ' 28' ' ' PHE . 59.0 t80 -60.0 -48.87 79.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 2.76 110.892 -176.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.584 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.9 mp -69.08 -27.36 65.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.602 -0.272 . . . . 1.28 111.423 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' B' ' 26' ' ' ILE . 50.2 t-80 -67.17 -48.84 66.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.938 0.399 . . . . 1.63 110.265 177.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.15 -43.94 73.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.045 -0.525 . . . . 1.98 110.537 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -61.8 -29.1 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.93 110.5 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.584 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 1.5 tm? -62.28 -52.95 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.634 -0.712 . . . . 1.76 109.643 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -69.02 -30.7 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.57 -0.741 . . . . 4.03 110.531 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -75.9 -25.08 55.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.86 -0.609 . . . . 3.47 111.017 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.88 39.69 7.97 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 121.127 -0.558 . . . . 0.58 112.264 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.12 -42.1 99.58 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.236 -0.507 . . . . 0.53 113.591 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.432 HD21 HD12 ' B' ' 46' ' ' LEU . 3.5 mm? -104.49 -173.95 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.872 0.336 . . . . 1.21 110.709 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -77.42 -171.89 2.29 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.47 -0.332 . . . . 1.7 110.954 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.9 m -67.87 -59.02 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.108 0.41 . . . . 1.96 112.108 -173.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -62.78 -35.26 79.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.551 0.691 . . . . 2.21 109.867 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.9 85.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.017 -0.992 . . . . 1.13 110.902 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.499 ' O ' HD22 ' B' ' 33' ' ' LEU . 25.4 tt0 -61.32 -51.46 68.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.626 . . . . 1.74 109.808 178.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.22 -37.89 72.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.669 -0.696 . . . . 2.36 110.504 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.5 m -66.92 -31.97 72.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.595 -0.73 . . . . 1.64 111.895 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.528 ' HB2' HD21 ' B' ' 33' ' ' LEU . 20.3 mt -61.74 -53.56 54.43 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 121.066 -0.253 . . . . 1.81 110.609 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 40.0 tt0 -55.28 -44.86 76.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.959 -0.564 . . . . 1.75 110.873 -176.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.78 -47.87 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 1.23 110.437 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.55 96.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.546 . . . . 1.13 111.431 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.485 HG13 ' O ' ' B' ' 46' ' ' LEU . 83.6 mt -56.14 -50.75 68.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 1.36 110.8 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 73.7 mm-40 -64.7 -37.27 87.01 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.031 -0.531 . . . . 1.84 110.731 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 72.3 m -68.04 -48.12 66.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.902 -0.59 . . . . 1.01 111.282 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.27 -35.66 81.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.703 0.287 . . . . 1.37 110.853 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -57.4 -51.33 69.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.23 0.538 . . . . 1.66 109.972 175.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.9 m -67.28 -34.7 77.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.543 -0.753 . . . . 1.75 110.849 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.48 -63.75 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.642 -0.708 . . . . 1.47 112.237 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.603 ' CD2' ' HB3' ' B' ' 22' ' ' ALA . 96.3 m-85 -76.92 -2.67 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.869 0.366 . . . . 2.32 111.259 -176.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.83 34.65 65.94 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.112 -0.566 . . . . 2.73 111.836 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.06 153.22 4.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.058 0.456 . . . . 1.67 110.976 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -137.49 -171.15 2.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.613 -0.722 . . . . 2.84 109.718 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 p -68.79 -12.41 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.773 0.797 . . . . 2.73 110.236 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -63.15 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.585 0.707 . . . . 4.0 109.419 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.402 ' HA ' ' HG ' ' B' ' 66' ' ' LEU . 8.5 m-20 -75.6 -7.88 55.37 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.377 -0.829 . . . . 3.62 110.231 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.56 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 22.8 t -80.48 -29.51 37.39 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.197 -0.668 . . . . 3.28 109.197 173.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.34 -41.67 93.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.94 -0.573 . . . . 3.46 110.708 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.402 ' HG ' ' HA ' ' B' ' 63' ' ' ASP . 3.2 pp -89.57 27.29 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.158 0.504 . . . . 2.39 111.452 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.34 160.66 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 1.89 111.769 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.438 HD13 HD22 ' B' ' 72' ' ' LEU . 85.1 mt -97.28 159.08 32.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.589 -0.732 . . . . 1.72 110.021 177.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -43.12 -49.26 7.28 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.679 2.919 . . . . 3.2 114.118 -175.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -123.97 176.73 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.066 -0.346 . . . . 3.24 110.066 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 73.4 p -70.55 144.59 51.23 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.298 -0.63 . . . . 1.98 109.298 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.527 ' HB2' ' CB ' ' B' ' 24' ' ' ALA . 3.9 mm? -78.49 -34.67 1.05 Allowed Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 118.642 -0.694 . . . . 2.33 112.61 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.432 ' HA ' ' CD2' ' B' ' 76' ' ' PHE . 67.4 Cg_exo -48.06 -31.13 15.49 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.426 1.418 . . . . 1.23 112.572 168.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.412 ' HA ' ' HG2' ' B' ' 77' ' ' GLU . 32.1 tt0 -74.9 -35.28 62.25 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.337 0.589 . . . . 2.27 110.11 176.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 22.6 mm -63.35 -40.03 87.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.384 0.611 . . . . 2.04 109.357 172.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 1.637 ' HD2' ' CD1' ' B' ' 76' ' ' PHE . 10.9 m-30 -66.26 -45.04 81.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.239 -0.892 . . . . 3.08 110.654 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' B' ' 74' ' ' GLU . 12.5 pt-20 -64.6 -19.26 65.56 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.764 -0.375 . . . . 2.51 110.876 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.48 -63.96 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.886 0.374 . . . . 1.24 111.107 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.96 40.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.32 0.489 . . . . 1.47 112.32 -174.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.47 ' HB1' HD22 ' A' ' 17' ' ' ASN . . . -72.78 -12.44 61.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.872 -0.604 . . . . 1.7 111.454 -173.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.439 ' HA ' ' NH2' ' A' ' 20' ' ' ARG . 45.2 m -99.52 -18.01 17.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 2.49 110.301 173.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.95 46.79 2.69 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.903 -0.665 . . . . 2.63 112.771 -175.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 77.2 tttt . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.378 -0.82 . . . . 4.9 109.867 177.058 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD1' ' HG3' ' A' ' 19' ' ' LYS . 16.2 m-20 . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.122 0.487 . . . . 2.4 111.462 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.89 -43.75 12.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.125 -0.489 . . . . 2.52 110.62 176.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -66.83 -43.28 84.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.98 0.419 . . . . 2.39 110.334 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HG3' ' OD1' ' A' ' 16' ' ' ASP . 2.6 mmmm -59.25 -58.05 10.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.552 -0.749 . . . . 1.98 110.907 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.403 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 33.3 mtm180 -72.34 -19.48 61.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.163 -0.926 . . . . 3.0 110.997 -173.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.462 HD11 ' CE2' ' B' ' 76' ' ' PHE . 14.0 tp -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.298 -0.63 . . . . 1.28 109.298 171.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -63.27 -50.12 71.37 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.466 -0.788 . . . . 1.42 110.561 178.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 1.615 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.26 -48.29 71.33 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.277 0.36 . . . . 3.42 111.194 -177.384 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.12 86.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.466 -0.334 . . . . 1.62 111.24 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.56 -41.94 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 1.54 110.43 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 22' ' ' ALA . 90.3 mt -57.69 -50.62 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.655 0.265 . . . . 1.37 110.736 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -62.41 -46.96 86.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 1.68 111.662 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.63 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 43.1 t80 -63.33 -47.07 83.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.38 . . . . 2.76 110.564 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.581 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.8 mp -72.15 -22.05 61.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 1.28 111.467 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -70.53 -46.97 62.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.021 -0.363 . . . . 1.62 110.021 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.69 -44.6 89.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 1.98 110.026 177.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.42 HE21 ' HB3' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -60.78 -37.17 80.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 1.92 110.871 176.767 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.581 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.47 -48.02 76.79 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.573 -0.528 . . . . 1.76 109.573 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.03 -32.73 74.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.786 -0.643 . . . . 4.02 110.404 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -77.99 -20.89 51.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.753 -0.658 . . . . 3.46 111.496 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.19 43.71 12.88 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.063 -0.589 . . . . 0.58 111.96 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.78 -62.86 4.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.119 -0.562 . . . . 0.52 113.237 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.15 -178.51 6.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.868 0.366 . . . . 1.21 111.257 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -69.73 174.65 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 1.7 111.455 -177.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.3 t -60.85 -55.65 30.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.673 0.273 . . . . 1.97 111.228 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.8 -40.75 93.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 2.2 110.437 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.52 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -57.93 -47.2 83.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.7 -0.682 . . . . 1.13 110.908 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -53.58 -60.2 3.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.777 -0.647 . . . . 1.74 111.323 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -49.11 -43.25 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.228 -0.896 . . . . 2.36 111.259 176.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.8 m -67.65 -34.49 77.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 1.64 111.671 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 32.2 mt -65.52 -39.58 92.0 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 121.026 -0.27 . . . . 1.81 110.453 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.15 -40.33 77.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.17 0.509 . . . . 1.76 110.15 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.62 -48.65 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.777 -0.647 . . . . 1.23 110.218 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.79 -39.94 82.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 1.12 111.475 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 58.1 mt -55.74 -55.67 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.046 -0.525 . . . . 1.35 110.944 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.64 -32.97 74.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.688 0.28 . . . . 1.84 111.317 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.3 m -66.53 -51.44 56.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.335 -0.393 . . . . 1.01 110.948 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.64 -38.36 89.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.045 0.45 . . . . 1.37 110.301 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 42.3 tt0 -54.61 -53.2 57.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.33 -0.85 . . . . 1.65 110.507 176.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -70.26 -30.86 68.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.038 -0.528 . . . . 1.75 111.044 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -62.88 1.36 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 1.47 112.231 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 22' ' ' ALA . 95.3 m-85 -75.21 -12.27 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.356 -0.383 . . . . 2.33 111.12 -175.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.56 28.43 47.61 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.77 -0.729 . . . . 2.72 111.643 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 27.0 m -103.48 152.21 6.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.394 -0.224 . . . . 1.67 110.394 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.522 ' OG1' ' HG2' ' A' ' 62' ' ' GLU . 12.7 p -141.98 -169.15 2.86 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.591 -0.522 . . . . 2.84 109.591 176.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -56.67 -27.28 25.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 120.836 0.351 . . . . 2.74 111.685 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.522 ' HG2' ' OG1' ' A' ' 60' ' ' THR . 12.7 pt-20 -65.24 -24.88 67.45 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.05 0.452 . . . . 4.01 110.675 178.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 2.9 t70 -75.71 -17.81 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.789 0.804 . . . . 3.62 109.051 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.492 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 36.6 t -81.86 -19.79 40.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.395 -0.82 . . . . 3.27 109.583 174.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -75.93 -27.2 57.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 3.46 110.895 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 2.2 pp -88.0 31.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.368 0.604 . . . . 2.39 109.935 172.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 64' ' ' SER . . . -47.54 150.18 1.02 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.592 -1.186 . . . . 1.89 113.124 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.403 HD22 ' CZ ' ' A' ' 20' ' ' ARG . 97.9 mt -96.72 149.38 35.72 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 115.342 -0.844 . . . . 1.72 110.461 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -42.34 -51.58 4.84 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.422 2.748 . . . . 3.19 112.584 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.61 150.01 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.423 -0.808 . . . . 3.24 109.621 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.2 p -79.86 139.74 37.04 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.173 -0.677 . . . . 1.99 109.173 171.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.504 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 65.4 mt -79.97 -37.5 1.1 Allowed Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 113.466 0.913 . . . . 2.33 113.466 -168.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.579 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 52.5 Cg_exo -57.79 -31.01 91.17 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.151 1.234 . . . . 1.23 111.97 170.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -69.02 -47.53 65.22 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.924 -0.398 . . . . 2.28 109.924 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.6 mm -52.95 -42.9 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.462 0.648 . . . . 2.04 109.882 171.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 2.2 t80 -60.65 -36.92 79.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.973 -1.012 . . . . 3.08 110.826 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 45.9 mt-10 -65.53 -27.11 68.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.762 0.315 . . . . 2.52 111.098 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.69 -45.2 10.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 1.24 111.136 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.61 19.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.217 0.451 . . . . 1.47 112.217 -175.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.58 -8.43 55.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.599 0.592 . . . . 1.7 112.599 -170.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 p -93.75 5.35 51.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.241 0.543 . . . . 2.49 110.628 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.18 -124.21 0.77 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.24 -0.744 . . . . 2.64 111.24 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.247 0.967 0 CA-C-O 119.078 -0.487 . . . . 4.9 110.31 176.781 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.567 0.222 . . . . 4.05 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.401 ' OD1' ' HG3' ' B' ' 19' ' ' LYS . 15.8 m-20 -83.54 76.81 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.502 . . . . 2.42 111.153 -173.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.85 -44.14 12.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.158 -0.474 . . . . 2.52 110.654 176.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -66.85 -43.11 84.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 2.39 110.382 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.401 ' HG3' ' OD1' ' B' ' 16' ' ' ASP . 2.5 mmmm -59.24 -58.25 9.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.515 -0.766 . . . . 1.97 110.872 -178.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -72.2 -19.37 61.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.25 -0.886 . . . . 3.01 111.091 -173.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 76' ' ' PHE . 14.0 tp -59.74 -49.61 77.06 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.306 -0.628 . . . . 1.27 109.306 171.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.553 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -63.42 -49.97 71.65 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.426 -0.806 . . . . 1.42 110.521 178.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 1.667 ' HD1' ' CD2' ' B' ' 23' ' ' TYR . 0.0 OUTLIER -54.26 -48.35 71.28 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.244 0.34 . . . . 3.41 111.169 -177.44 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.2 86.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.458 -0.337 . . . . 1.62 111.113 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 35.1 mt -67.64 -41.78 85.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.301 -0.408 . . . . 1.54 110.394 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.442 HG13 ' O ' ' B' ' 22' ' ' ALA . 90.6 mt -57.68 -50.8 76.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.61 0.243 . . . . 1.37 110.711 177.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -62.21 -47.15 85.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 1.67 111.606 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . 1.618 ' HE1' ' CE2' ' B' ' 28' ' ' PHE . 43.6 t80 -63.17 -46.89 85.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.004 0.431 . . . . 2.76 110.651 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.572 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.8 mp -72.2 -22.15 61.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.234 -0.439 . . . . 1.28 111.517 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -70.38 -47.05 62.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.361 . . . . 1.63 110.132 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.71 -44.4 90.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 1.98 110.033 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -37.08 81.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.517 -0.765 . . . . 1.93 110.862 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.572 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -64.41 -48.02 76.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.633 -0.506 . . . . 1.76 109.633 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.03 -32.73 74.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 4.03 110.391 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -78.11 -21.0 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 3.47 111.391 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.84 42.52 12.79 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.936 -0.649 . . . . 0.58 112.052 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.17 -62.8 4.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.066 -0.587 . . . . 0.53 113.137 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.22 -178.41 6.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.818 0.342 . . . . 1.21 111.321 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.9 m -69.81 174.73 4.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 1.7 111.398 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -60.84 -55.69 30.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 1.96 111.094 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -60.89 -40.5 93.27 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.228 -0.442 . . . . 2.21 110.531 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.522 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -58.1 -47.11 84.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.66 -0.7 . . . . 1.13 110.799 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -53.62 -60.1 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 1.74 111.358 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -49.31 -43.07 43.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.168 -0.924 . . . . 2.36 111.302 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 39.5 m -67.69 -34.59 77.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 1.64 111.664 -178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 31.8 mt -65.4 -39.51 92.29 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 121.024 -0.27 . . . . 1.81 110.504 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.28 -40.3 77.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.167 0.508 . . . . 1.75 110.075 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 23.5 t -69.67 -48.5 64.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.793 -0.639 . . . . 1.23 110.229 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.63 82.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.902 -0.59 . . . . 1.13 111.482 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.403 HG13 ' O ' ' B' ' 46' ' ' LEU . 57.9 mt -55.89 -55.68 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 1.36 110.928 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.6 -33.05 74.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.571 -0.286 . . . . 1.84 111.336 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.7 m -66.44 -51.65 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.3 -0.409 . . . . 1.01 110.869 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.56 -38.32 89.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.072 0.463 . . . . 1.37 110.278 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 42.3 tt0 -54.68 -53.24 57.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.363 -0.835 . . . . 1.66 110.452 176.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.5 m -70.34 -30.61 67.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.022 -0.535 . . . . 1.75 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.98 -63.05 1.26 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.162 -0.472 . . . . 1.47 112.221 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' B' ' 22' ' ' ALA . 94.9 m-85 -75.08 -12.12 60.25 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.318 -0.401 . . . . 2.32 111.241 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.34 28.72 47.56 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.855 -0.688 . . . . 2.73 111.603 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.403 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 26.9 m -103.82 151.57 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.672 0.272 . . . . 1.67 110.382 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' THR . . . . . 0.519 ' OG1' ' HG2' ' B' ' 62' ' ' GLU . 13.7 p -141.52 -170.46 3.1 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.621 -0.511 . . . . 2.84 109.621 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -55.61 -27.53 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 120.698 0.285 . . . . 2.73 111.741 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.519 ' HG2' ' OG1' ' B' ' 60' ' ' THR . 12.7 pt-20 -65.11 -24.74 67.51 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.015 0.436 . . . . 4.0 110.737 178.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.407 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 3.0 t70 -75.76 -17.89 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.829 0.823 . . . . 3.62 109.037 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.49 ' O ' ' HB3' ' B' ' 67' ' ' ALA . 34.7 t -81.8 -19.89 40.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.404 -0.817 . . . . 3.28 109.594 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -75.83 -27.27 57.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 3.46 110.878 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 2.2 pp -86.91 28.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.302 0.572 . . . . 2.39 110.157 172.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' B' ' 64' ' ' SER . . . -45.58 149.81 0.55 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 114.658 -1.155 . . . . 1.89 113.372 -177.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 98.1 mt -96.51 149.43 35.83 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.28 -0.873 . . . . 1.72 110.546 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -43.01 -50.29 6.37 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.341 2.694 . . . . 3.2 112.855 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.42 150.07 24.86 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 3.24 109.511 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 10.6 p -79.73 143.28 34.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.703 -0.851 . . . . 1.98 108.703 171.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 67.3 mt -82.49 -37.57 0.78 Allowed Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 113.249 0.833 . . . . 2.33 113.249 -168.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.578 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 53.1 Cg_exo -57.8 -31.04 91.29 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.154 1.236 . . . . 1.23 111.999 170.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.04 -47.66 64.83 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.798 -0.445 . . . . 2.27 109.798 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 17.5 mm -52.86 -42.97 44.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.415 0.626 . . . . 2.04 109.842 171.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 2.2 t80 -60.54 -36.93 79.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.94 -1.027 . . . . 3.08 110.858 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.5 mt-10 -65.47 -27.75 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.665 0.269 . . . . 2.51 111.027 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.85 -45.16 10.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.962 0.411 . . . . 1.24 111.315 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.13 -50.72 18.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.217 0.451 . . . . 1.47 112.217 -175.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.26 -11.11 60.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.611 0.597 . . . . 1.7 112.611 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 17.1 p -92.03 5.09 51.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.174 0.512 . . . . 2.49 110.767 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.78 -124.34 0.79 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.354 -0.699 . . . . 2.63 111.354 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.246 0.88 0 CA-C-O 119.354 -0.355 . . . . 4.9 110.154 176.502 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.617 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 17.7 m-20 . . . . . 0 CA--C 1.517 -0.306 0 CA-C-O 120.79 0.329 . . . . 2.4 110.295 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -76.49 -14.3 60.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.41 0.624 . . . . 2.52 109.612 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -59.07 -35.92 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.326 -0.852 . . . . 2.39 111.103 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 16' ' ' ASP . 21.0 ptmt -70.67 -38.71 73.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 1.98 110.593 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.467 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 37.1 mtm180 -73.56 -21.73 60.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.606 0.717 . . . . 3.0 110.037 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.55 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 30.5 tp -61.92 -39.53 92.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.209 -0.905 . . . . 1.28 109.704 171.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.644 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -64.82 -54.56 29.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.305 -0.861 . . . . 1.42 112.095 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 1.651 ' HE1' ' CE2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -58.02 -40.03 79.81 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.716 0.293 . . . . 3.42 110.466 -174.145 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.63 91.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.155 0.502 . . . . 1.62 110.873 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.09 -44.3 74.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.538 -0.755 . . . . 1.54 110.032 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.6 mt -56.14 -48.79 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.859 -0.61 . . . . 1.37 110.606 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 81.3 mm-40 -58.65 -43.69 89.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.771 -0.649 . . . . 1.68 111.632 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.526 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 40.6 t80 -71.68 -53.85 12.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.404 -0.362 . . . . 2.76 111.052 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.63 -31.01 69.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 1.28 111.355 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -56.1 -57.08 13.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.147 0.499 . . . . 1.62 110.765 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.11 -34.91 64.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.845 -0.616 . . . . 1.98 110.805 -176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -60.15 -41.01 91.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.987 0.422 . . . . 1.92 110.533 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.87 -45.49 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 1.76 109.735 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -66.62 -24.17 66.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.724 -0.671 . . . . 4.02 111.167 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -94.17 -2.94 51.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.452 -0.34 . . . . 3.46 111.351 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.64 41.86 98.93 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.991 -0.549 . . . . 0.58 112.438 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.45 -48.75 84.49 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.246 -0.502 . . . . 0.52 113.094 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.14 -176.25 4.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.5 0.191 . . . . 1.21 110.929 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 t -69.64 -176.66 1.07 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.583 -0.28 . . . . 1.7 111.119 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 11.4 p -62.78 -64.22 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.109 0.411 . . . . 1.97 112.109 -174.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.8 -32.7 74.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.267 0.556 . . . . 2.2 110.695 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.53 85.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.611 -0.722 . . . . 1.13 110.71 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 40' ' ' SER . 25.6 mt-30 -59.69 -57.24 13.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 1.74 110.939 174.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' O ' HG21 ' A' ' 48' ' ' VAL . 54.7 mm-40 -46.1 -41.02 11.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.379 -0.828 . . . . 2.36 111.143 174.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.4 m -66.12 -29.38 69.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.817 -0.629 . . . . 1.64 111.697 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 50' ' ' ILE . 46.2 mt -62.55 -53.17 58.6 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 110.185 -0.302 . . . . 1.81 110.185 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -55.25 -45.96 76.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 1.76 110.911 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 44' ' ' GLU . 20.5 t -60.56 -49.13 85.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 1.23 110.359 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.36 96.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.861 -0.609 . . . . 1.12 111.285 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 46' ' ' LEU . 85.2 mt -56.37 -50.66 70.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.182 -0.463 . . . . 1.35 110.532 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -63.24 -41.71 99.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 1.84 110.698 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.64 -50.48 66.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.594 . . . . 1.01 111.501 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.47 -35.41 80.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.54 0.21 . . . . 1.37 111.269 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.03 -53.41 58.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.14 0.495 . . . . 1.65 109.95 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.0 m -68.74 -33.92 74.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 1.75 111.1 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' B' ' 42' ' ' ALA . . . -58.6 -55.54 33.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 1.47 111.811 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.644 ' CD2' ' HB3' ' A' ' 22' ' ' ALA . 98.6 m-85 -81.29 -6.36 58.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.726 0.298 . . . . 2.33 111.106 -178.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.56 31.73 65.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.091 -0.575 . . . . 2.72 112.041 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.9 m -104.67 162.9 4.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.447 . . . . 1.67 111.187 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.1 p -140.64 -169.58 2.82 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.067 -0.716 . . . . 2.84 109.067 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.0 -21.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.415 0.626 . . . . 2.74 109.975 174.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HA ' ' OD2' ' A' ' 65' ' ' ASP . 31.8 mt-10 -64.11 -24.73 67.8 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.517 -0.765 . . . . 4.01 110.93 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -74.32 -23.22 59.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 3.62 109.322 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 13.9 t -80.46 -16.34 54.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.483 -0.781 . . . . 3.27 109.583 175.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.463 ' OD2' ' HA ' ' A' ' 62' ' ' GLU . 5.8 m-20 -71.69 -40.33 69.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.173 -0.467 . . . . 3.46 110.284 173.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -87.88 31.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.473 0.654 . . . . 2.39 110.32 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 64' ' ' SER . . . -50.21 152.84 1.62 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.685 -1.143 . . . . 1.89 113.375 -176.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.467 HD22 ' CZ ' ' A' ' 20' ' ' ARG . 88.3 mt -82.72 167.18 31.57 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 114.883 -1.053 . . . . 1.72 110.33 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 68' ' ' LEU . 5.5 Cg_exo -39.85 -48.62 3.64 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 123.695 2.93 . . . . 3.19 112.684 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -135.38 153.38 51.84 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.96 -0.756 . . . . 3.24 108.96 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -70.59 142.23 51.72 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.379 0.609 . . . . 1.99 110.027 176.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.523 ' N ' ' HD2' ' A' ' 73' ' ' PRO . 28.4 mt -66.93 -30.55 3.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 114.34 1.237 . . . . 2.33 114.34 -170.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.526 ' CG ' ' HB2' ' A' ' 28' ' ' PHE . 20.8 Cg_exo -36.58 -45.84 1.18 Allowed 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.777 2.318 . . . . 1.23 113.919 170.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 31.7 tt0 -72.77 -37.38 67.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.951 0.405 . . . . 2.28 110.626 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.8 mm -58.81 -38.68 73.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.003 0.43 . . . . 2.04 109.985 174.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 1.647 ' HE1' ' CE2' ' A' ' 76' ' ' PHE . 18.4 m-30 -60.18 -42.22 94.53 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.598 -0.728 . . . . 3.08 110.713 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 13.1 pt-20 -80.69 -24.83 38.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.751 0.31 . . . . 2.52 111.028 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.75 -64.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.273 0.472 . . . . 1.24 112.273 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.72 -27.98 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.949 0.405 . . . . 1.47 111.968 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 76' ' ' PHE . . . -75.89 -19.96 58.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.215 -0.448 . . . . 1.7 111.671 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -98.77 15.91 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.471 . . . . 2.49 110.817 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.37 124.72 1.43 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.83 -0.7 . . . . 2.64 112.272 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.408 -0.806 . . . . 4.9 109.835 177.733 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.162 -0.31 . . . . 4.05 110.162 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.601 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 18.9 m-20 -77.18 105.77 8.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.238 -0.437 . . . . 2.42 110.533 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -76.52 -14.43 60.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.302 0.573 . . . . 2.52 109.542 176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 0.9 OUTLIER -59.05 -35.81 73.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.347 -0.842 . . . . 2.39 111.122 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' B' ' 16' ' ' ASP . 21.0 ptmt -70.72 -38.71 73.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.565 -0.289 . . . . 1.97 110.667 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.461 ' CZ ' HD22 ' B' ' 68' ' ' LEU . 37.2 mtm180 -73.66 -21.6 60.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.557 0.694 . . . . 3.01 109.942 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.55 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 30.5 tp -61.98 -39.45 92.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.313 -0.858 . . . . 1.27 109.639 171.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.64 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -64.99 -54.61 27.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.369 -0.832 . . . . 1.42 111.982 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 1.636 ' HD2' ' CD1' ' B' ' 23' ' ' TYR . 0.3 OUTLIER -58.03 -39.94 79.61 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-O 120.733 0.302 . . . . 3.41 110.51 -174.106 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.6 91.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 1.62 110.903 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.21 -44.27 73.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.604 -0.725 . . . . 1.54 110.045 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -56.01 -49.0 77.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 1.37 110.577 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 80.2 mm-40 -58.62 -43.58 89.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 1.67 111.745 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . 0.527 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 40.2 t80 -71.77 -53.69 12.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 2.76 111.049 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.73 -31.18 69.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 1.28 111.315 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -55.86 -57.16 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.177 0.513 . . . . 1.63 110.78 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.05 -34.88 64.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.831 -0.622 . . . . 1.98 110.92 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -60.12 -40.98 91.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.988 0.423 . . . . 1.93 110.538 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.402 HD21 HD13 ' B' ' 46' ' ' LEU . 3.3 tm? -62.86 -45.41 92.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.808 -0.633 . . . . 1.76 109.723 177.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -66.96 -23.82 66.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.841 -0.618 . . . . 4.03 111.164 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -94.23 -3.19 51.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.791 0.329 . . . . 3.47 111.362 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.94 41.46 98.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.117 -0.563 . . . . 0.58 112.483 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.33 -48.55 85.43 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.195 -0.526 . . . . 0.53 113.153 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.2 -176.2 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.404 0.145 . . . . 1.21 111.012 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.9 t -69.82 -176.46 1.08 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.695 0.283 . . . . 1.7 111.109 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 11.8 p -63.09 -63.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.182 0.438 . . . . 1.96 112.182 -174.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.96 -32.75 74.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.245 0.545 . . . . 2.21 110.599 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 56' ' ' ALA . . . -60.66 -38.59 85.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.656 -0.702 . . . . 1.13 110.713 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' B' ' 40' ' ' SER . 25.3 mt-30 -59.67 -57.25 13.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.765 -0.652 . . . . 1.74 110.803 175.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.406 ' O ' HG21 ' B' ' 48' ' ' VAL . 54.3 mm-40 -46.03 -41.02 11.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.392 -0.822 . . . . 2.36 111.241 174.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 29.8 m -66.19 -29.31 69.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.868 -0.605 . . . . 1.64 111.686 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.52 ' O ' HG13 ' B' ' 50' ' ' ILE . 46.0 mt -62.5 -53.27 57.18 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 110.199 -0.297 . . . . 1.81 110.199 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -55.24 -45.89 76.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.744 -0.662 . . . . 1.75 110.891 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.406 HG21 ' O ' ' B' ' 44' ' ' GLU . 20.4 t -60.64 -49.12 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 1.23 110.394 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.28 96.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.766 -0.652 . . . . 1.13 111.264 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.52 HG13 ' O ' ' B' ' 46' ' ' LEU . 85.2 mt -56.43 -50.63 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 1.36 110.543 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -63.28 -41.64 99.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 1.84 110.782 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.63 -50.62 66.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.904 -0.589 . . . . 1.01 111.402 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.49 -35.42 80.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.559 0.219 . . . . 1.37 111.307 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.05 -53.09 62.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.195 0.521 . . . . 1.66 109.943 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.0 m -69.12 -33.72 73.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.519 -0.764 . . . . 1.75 111.104 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.4 35.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 1.47 111.813 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.64 ' CD2' ' HB3' ' B' ' 22' ' ' ALA . 98.6 m-85 -81.27 -6.38 58.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.853 0.359 . . . . 2.32 111.17 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.51 31.93 65.13 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.124 -0.56 . . . . 2.73 111.96 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -104.77 163.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.003 0.43 . . . . 1.67 111.172 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 29.8 p -141.06 -170.84 3.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.564 -0.744 . . . . 2.84 109.05 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.98 -21.68 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.432 0.634 . . . . 2.73 110.092 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.451 ' HA ' ' OD2' ' B' ' 65' ' ' ASP . 31.7 mt-10 -64.02 -24.83 67.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.577 -0.738 . . . . 4.0 110.917 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.24 -23.14 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 3.62 109.259 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' B' ' 67' ' ' ALA . 14.3 t -80.32 -16.58 54.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.491 -0.777 . . . . 3.28 109.555 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.451 ' OD2' ' HA ' ' B' ' 62' ' ' GLU . 5.9 m-20 -71.71 -39.92 69.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.124 -0.489 . . . . 3.46 110.477 173.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -87.1 28.23 0.95 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.277 0.561 . . . . 2.39 110.617 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 64' ' ' SER . . . -48.3 152.66 0.83 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.904 -1.043 . . . . 1.89 113.519 -175.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.461 HD22 ' CZ ' ' B' ' 20' ' ' ARG . 88.2 mt -82.82 167.02 32.46 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 114.72 -1.127 . . . . 1.72 110.314 177.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' B' ' 68' ' ' LEU . 5.5 Cg_exo -39.89 -48.58 3.68 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.697 2.931 . . . . 3.2 112.756 176.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -135.15 153.33 52.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.909 -0.774 . . . . 3.24 108.909 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -70.67 144.62 51.0 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.419 0.628 . . . . 1.98 109.716 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' B' ' 73' ' ' PRO . 28.8 mt -68.93 -30.51 2.36 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 114.177 1.177 . . . . 2.33 114.177 -170.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' B' ' 72' ' ' LEU . 20.7 Cg_exo -36.48 -45.71 1.12 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.712 2.275 . . . . 1.23 113.972 170.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' B' ' 77' ' ' GLU . 31.7 tt0 -72.94 -37.42 67.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.929 0.395 . . . . 2.27 110.587 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 25.7 mm -58.85 -38.61 73.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.967 0.413 . . . . 2.04 109.944 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 1.642 ' HD2' ' CD1' ' B' ' 76' ' ' PHE . 18.6 m-30 -60.29 -42.13 94.84 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.602 -0.726 . . . . 3.08 110.721 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' B' ' 74' ' ' GLU . 13.1 pt-20 -80.6 -25.46 38.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.776 0.322 . . . . 2.51 110.951 -177.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.75 -64.42 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.41 0.522 . . . . 1.24 112.41 -174.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.09 -27.81 63.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.023 0.44 . . . . 1.47 111.956 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' B' ' 76' ' ' PHE . . . -75.98 -19.96 58.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.116 -0.493 . . . . 1.7 111.588 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.1 p -98.58 15.66 24.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.111 0.482 . . . . 2.49 110.853 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.66 125.24 1.44 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.878 -0.677 . . . . 2.63 112.168 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.331 -0.842 . . . . 4.9 109.955 177.536 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 120.8 0.333 . . . . 2.4 110.468 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.638 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 13.3 p-10 -84.94 -14.13 48.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.257 -0.429 . . . . 2.52 110.3 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.66 -48.84 78.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.744 -0.662 . . . . 2.39 111.086 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -63.14 -46.61 86.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 1.98 111.337 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.77 -34.83 79.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.248 0.547 . . . . 3.0 110.625 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 tp -58.08 -51.44 69.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.303 -0.862 . . . . 1.28 110.082 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -64.04 -48.54 75.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 1.42 110.87 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.403 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 8.1 t80 -52.58 -53.03 52.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 3.42 112.029 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.33 83.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.391 -0.368 . . . . 1.62 111.19 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.6 mt -69.86 -39.24 77.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.105 -0.498 . . . . 1.54 110.35 177.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 22' ' ' ALA . 49.8 mt -54.76 -55.91 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.255 -0.43 . . . . 1.37 111.091 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.28 -44.83 93.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 1.68 111.765 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -65.82 -46.32 79.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.547 -0.297 . . . . 2.76 110.988 -178.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 mp -64.05 -36.71 84.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.67 -0.241 . . . . 1.28 110.501 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.77 -50.95 70.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 1.62 110.687 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.84 -34.06 68.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.489 -0.323 . . . . 1.98 110.784 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.47 -37.64 81.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 1.92 110.536 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 66.9 mt -66.79 -43.44 83.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 1.76 110.422 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.87 -26.96 65.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 4.02 110.955 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -89.72 -2.59 58.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.87 0.367 . . . . 3.46 111.139 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.44 40.66 91.34 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.949 -0.569 . . . . 0.58 112.815 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.78 -36.92 92.87 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.001 -0.619 . . . . 0.52 112.598 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.84 178.34 4.5 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.231 -0.285 . . . . 1.21 110.231 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.3 t -74.75 179.97 4.51 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.91 -0.404 . . . . 1.7 109.91 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -63.44 -58.16 7.93 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.325 -0.235 . . . . 1.97 111.558 -173.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.99 -38.42 88.53 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.34 0.591 . . . . 2.2 110.722 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.43 91.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.427 -0.806 . . . . 1.13 110.596 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.479 ' HA ' HD23 ' A' ' 33' ' ' LEU . 9.0 tt0 -60.01 -47.92 83.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.573 -0.739 . . . . 1.74 110.226 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' O ' HG21 ' A' ' 48' ' ' VAL . 36.6 mt-10 -62.58 -40.9 98.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.651 -0.704 . . . . 2.36 110.221 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 43.4 m -61.46 -42.58 98.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.537 -0.756 . . . . 1.64 111.319 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.58 ' HB2' HD22 ' A' ' 33' ' ' LEU . 18.9 mt -59.96 -43.75 94.86 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 121.16 -0.216 . . . . 1.81 110.806 177.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 41.4 tt0 -60.94 -42.15 97.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.308 -0.405 . . . . 1.76 110.882 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 44' ' ' GLU . 43.8 t -64.64 -40.94 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.006 0.431 . . . . 1.23 109.849 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.19 98.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.776 -0.647 . . . . 1.12 110.938 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 46' ' ' LEU . 71.4 mt -54.67 -51.8 47.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.062 -0.517 . . . . 1.35 110.73 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 8.6 mm100 -63.19 -36.7 84.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.961 -0.563 . . . . 1.84 110.596 -178.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' B' ' 45' ' ' SER . 72.9 m -68.11 -47.2 68.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.927 -0.579 . . . . 1.01 110.871 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.47 -40.12 96.28 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.958 0.409 . . . . 1.37 110.305 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.54 -51.47 69.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.623 -0.717 . . . . 1.65 110.385 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 m -68.1 -30.99 70.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.037 -0.529 . . . . 1.75 111.08 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.66 -61.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.976 -0.556 . . . . 1.47 111.758 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -73.64 -13.06 60.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.981 0.42 . . . . 2.33 111.283 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.29 35.95 60.0 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.741 -0.663 . . . . 2.72 111.555 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.32 152.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.962 0.41 . . . . 1.67 111.276 -175.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.9 p -139.48 -169.43 2.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.694 -0.684 . . . . 2.84 109.792 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.8 -13.37 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.528 0.68 . . . . 2.74 110.346 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.12 -23.31 67.27 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.331 0.586 . . . . 4.01 110.346 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.83 -18.98 61.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.329 -0.619 . . . . 3.62 109.329 177.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.403 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 10.1 t -76.94 -27.4 54.84 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.775 -0.648 . . . . 3.27 109.514 176.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.02 -38.39 90.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.778 -0.646 . . . . 3.46 109.978 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.44 19.99 14.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.879 -0.6 . . . . 2.39 111.361 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.97 144.19 29.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.261 0.553 . . . . 1.89 112.286 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.478 HD13 HD22 ' A' ' 72' ' ' LEU . 96.1 mt -75.56 158.87 82.75 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.481 -0.781 . . . . 1.72 110.029 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.89 -47.03 12.3 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.111 2.54 . . . . 3.19 113.253 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -121.78 157.83 30.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.862 -0.422 . . . . 3.24 109.862 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.52 140.44 42.77 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.409 0.623 . . . . 1.99 110.32 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.9 mm? -65.63 -42.73 57.65 Favored Pre-proline 0 C--O 1.22 -0.479 0 CA-C-N 115.069 -0.969 . . . . 2.33 113.152 -175.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -45.97 -34.58 12.92 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.365 2.044 . . . . 1.23 113.983 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.97 -44.92 71.95 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.84 -0.43 . . . . 2.28 109.84 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.63 -39.09 74.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.324 0.583 . . . . 2.04 109.713 172.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 1.619 ' HE1' ' CE2' ' A' ' 76' ' ' PHE . 12.8 m-30 -62.11 -32.66 73.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.396 -0.82 . . . . 3.08 110.208 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.642 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 62.0 mt-10 -76.4 -14.93 60.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.776 0.322 . . . . 2.52 111.255 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.32 -34.66 15.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.934 0.397 . . . . 1.24 110.768 174.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.8 -51.52 5.05 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.299 0.481 . . . . 1.47 112.299 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.471 ' HA ' HD12 ' B' ' 72' ' ' LEU . . . -71.51 -9.58 58.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.065 0.394 . . . . 1.7 112.065 -172.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -19.0 60.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.954 0.407 . . . . 2.49 110.533 174.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.37 109.31 0.91 Allowed Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.846 -0.616 . . . . 2.64 111.864 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.92 -0.77 . . . . 4.9 108.92 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.663 0.268 . . . . 4.05 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.59 127.49 32.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.408 -0.36 . . . . 2.42 110.501 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.642 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 13.0 p-10 -85.01 -14.06 48.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.26 -0.427 . . . . 2.52 110.285 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -57.76 -48.84 78.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.799 -0.637 . . . . 2.39 110.996 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -63.0 -46.59 86.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.444 . . . . 1.97 111.439 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.84 -34.77 79.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.194 0.521 . . . . 3.01 110.622 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 tp -58.08 -51.49 69.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.363 -0.835 . . . . 1.27 110.05 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.458 ' O ' HG13 ' B' ' 26' ' ' ILE . . . -64.08 -48.55 75.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.787 -0.642 . . . . 1.42 110.848 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.407 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 8.1 t80 -52.58 -52.86 53.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 3.41 112.034 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.28 83.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.831 0.348 . . . . 1.62 111.187 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.4 mt -69.91 -39.13 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.016 -0.538 . . . . 1.54 110.328 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 22' ' ' ALA . 49.6 mt -54.78 -55.84 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.272 -0.422 . . . . 1.37 111.115 175.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.36 -44.76 93.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.125 -0.489 . . . . 1.67 111.768 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -65.9 -46.11 79.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.532 -0.303 . . . . 2.76 111.091 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.686 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 8.3 mp -64.23 -36.75 85.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.602 -0.272 . . . . 1.28 110.483 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.76 -50.99 70.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.336 -0.393 . . . . 1.63 110.625 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.81 -33.95 68.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 1.98 110.769 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.5 -37.68 81.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 1.93 110.516 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' B' ' 29' ' ' LEU . 66.7 mt -66.79 -43.33 84.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 1.76 110.405 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.99 -26.93 65.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.884 -0.598 . . . . 4.03 110.955 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -89.59 -2.86 58.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.832 0.349 . . . . 3.47 111.112 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.83 40.37 89.55 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.115 -0.564 . . . . 0.58 112.73 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.59 -36.99 93.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.024 -0.608 . . . . 0.53 112.536 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.91 178.21 4.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.157 -0.312 . . . . 1.21 110.157 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -74.75 179.94 4.52 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.965 -0.383 . . . . 1.7 109.965 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 20.9 t -63.39 -57.92 8.76 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.688 0.255 . . . . 1.96 111.688 -173.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.31 -38.54 89.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.234 0.54 . . . . 2.21 110.618 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.31 90.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.579 -0.737 . . . . 1.13 110.636 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.477 ' HA ' HD23 ' B' ' 33' ' ' LEU . 8.9 tt0 -60.08 -47.75 84.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.515 -0.766 . . . . 1.74 110.332 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.56 -41.02 98.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.635 -0.712 . . . . 2.36 110.249 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 46.3 m -61.5 -42.63 99.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.464 -0.789 . . . . 1.64 111.266 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.567 ' O ' HG13 ' B' ' 50' ' ' ILE . 18.7 mt -59.99 -43.64 95.03 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 121.229 -0.189 . . . . 1.81 110.748 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 41.1 tt0 -61.22 -42.05 97.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.307 -0.406 . . . . 1.75 110.821 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 43.9 t -64.54 -41.07 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.025 0.441 . . . . 1.23 109.835 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.14 98.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.813 -0.631 . . . . 1.13 110.934 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 46' ' ' LEU . 71.5 mt -54.7 -51.86 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 1.36 110.688 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 8.6 mm100 -63.18 -36.57 84.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 1.84 110.693 -177.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 45' ' ' SER . 72.1 m -68.24 -47.24 68.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.905 -0.589 . . . . 1.01 110.84 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 1.37 110.302 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.32 -51.55 69.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.638 -0.71 . . . . 1.66 110.48 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.9 m -68.05 -30.99 70.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.999 -0.546 . . . . 1.75 110.986 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.82 -61.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.992 -0.549 . . . . 1.47 111.751 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -73.77 -12.79 60.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.928 0.394 . . . . 2.32 111.239 -177.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.07 35.99 60.77 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.806 -0.634 . . . . 2.73 111.544 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.23 152.74 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.003 0.43 . . . . 1.67 111.228 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.2 p -139.91 -170.8 3.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.632 -0.713 . . . . 2.84 109.692 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.68 -13.63 15.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.52 0.676 . . . . 2.73 110.471 175.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.0 -23.38 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.295 0.569 . . . . 4.0 110.407 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.8 -18.81 61.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.842 -0.617 . . . . 3.62 109.371 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.407 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 9.5 t -77.09 -27.5 54.2 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.814 -0.63 . . . . 3.28 109.474 175.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.84 -38.32 90.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.882 -0.599 . . . . 3.46 110.015 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.58 19.98 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.841 -0.618 . . . . 2.39 111.481 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.01 144.05 30.15 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.107 -0.497 . . . . 1.89 112.203 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.459 HD13 HD22 ' B' ' 72' ' ' LEU . 96.1 mt -75.48 158.95 82.85 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.539 -0.755 . . . . 1.72 110.101 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -44.91 -47.07 12.3 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.097 2.532 . . . . 3.2 113.302 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -121.82 157.92 30.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.905 -0.406 . . . . 3.24 109.905 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.49 143.83 42.35 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.52 0.676 . . . . 1.98 109.835 176.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.597 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 2.9 mm? -68.56 -42.41 26.66 Favored Pre-proline 0 C--O 1.219 -0.552 0 CA-C-N 115.072 -0.967 . . . . 2.33 112.877 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -45.85 -34.59 12.48 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.405 2.07 . . . . 1.23 113.951 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.08 -44.96 71.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.993 0.425 . . . . 2.27 109.876 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.58 -38.98 74.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.373 0.606 . . . . 2.04 109.715 172.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 1.656 ' HE1' ' CE2' ' B' ' 76' ' ' PHE . 12.9 m-30 -62.27 -32.64 73.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.462 -0.79 . . . . 3.08 110.193 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.638 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 59.8 mt-10 -76.0 -16.53 59.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.967 0.413 . . . . 2.51 111.15 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.2 -36.11 16.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.046 0.45 . . . . 1.24 111.006 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.56 -52.04 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.512 0.56 . . . . 1.47 112.512 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 72' ' ' LEU . . . -70.26 -11.66 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.144 0.424 . . . . 1.7 112.144 -173.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.57 -18.9 61.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.927 0.394 . . . . 2.49 110.84 174.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.3 109.57 0.93 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.91 -0.586 . . . . 2.63 111.739 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 N-CA-C 109.002 -0.74 . . . . 4.9 109.002 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.55 ' OD1' ' HG3' ' A' ' 19' ' ' LYS . 13.5 t70 . . . . . 0 CA--C 1.524 -0.053 0 CA-C-O 120.836 0.35 . . . . 2.4 110.288 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -76.18 -27.47 56.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.478 -0.328 . . . . 2.52 111.417 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -58.48 -55.63 32.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.332 -0.394 . . . . 2.39 111.261 -174.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HG3' ' OD1' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -71.16 -22.79 62.0 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.768 -0.373 . . . . 1.98 111.143 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.531 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 83.3 mtm180 -75.69 -34.63 60.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.956 0.408 . . . . 3.0 110.583 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.651 ' HB2' ' CD2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -65.76 -35.41 80.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.869 -0.605 . . . . 1.28 109.611 178.583 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.42 -61.3 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.779 -0.646 . . . . 1.42 111.892 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.52 ' CE2' ' HA ' ' A' ' 20' ' ' ARG . 7.9 p90 -64.27 -34.44 78.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.914 0.388 . . . . 3.42 110.686 -174.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.51 98.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.784 -0.643 . . . . 1.62 110.787 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.2 mt -67.75 -41.8 85.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 1.54 110.031 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.6 mt -54.53 -56.05 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 1.37 111.719 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.44 -41.91 94.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 1.68 111.122 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 78.8 t80 -66.19 -45.09 82.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 2.76 110.227 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.564 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 5.4 mp -65.78 -27.46 68.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 1.28 111.082 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.69 -46.06 63.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.93 0.395 . . . . 1.62 110.317 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.91 -44.93 87.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 1.98 109.967 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -61.01 -33.08 72.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.919 -1.037 . . . . 1.92 110.995 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.564 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.3 -50.07 69.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 1.76 109.691 178.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -69.29 -25.3 64.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 4.02 110.929 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -83.24 -3.28 57.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.975 0.417 . . . . 3.46 111.438 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.35 39.92 98.33 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.901 -0.591 . . . . 0.58 112.784 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.03 -46.76 93.38 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.894 -0.669 . . . . 0.52 112.349 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.23 177.01 6.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.28 -0.267 . . . . 1.21 110.28 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 t -75.69 173.71 10.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.171 -0.307 . . . . 1.7 110.171 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -58.37 -53.01 63.14 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 111.599 0.222 . . . . 1.97 111.599 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -64.31 -39.6 94.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.159 0.504 . . . . 2.2 110.477 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -64.28 -37.68 88.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.56 -0.745 . . . . 1.13 110.781 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.521 ' O ' HD22 ' A' ' 33' ' ' LEU . 34.4 mt-30 -57.44 -59.82 4.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.928 -0.578 . . . . 1.74 110.752 175.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -46.83 -44.49 19.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.192 -0.913 . . . . 2.36 111.001 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -64.77 -33.71 76.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.805 -0.634 . . . . 1.64 111.257 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 27.3 mt -63.58 -46.34 86.3 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 121.155 -0.218 . . . . 1.81 110.528 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.44 -38.77 88.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 1.76 110.6 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.98 -48.55 85.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 1.23 110.064 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.86 89.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.93 -0.577 . . . . 1.12 111.066 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.414 HG23 HE21 ' A' ' 51' ' ' GLN . 34.5 mt -55.0 -53.47 33.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.525 . . . . 1.35 111.132 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.414 HE21 HG23 ' A' ' 50' ' ' ILE . 29.5 mm-40 -64.74 -33.91 77.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 1.84 111.133 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 79.8 m -67.87 -47.62 68.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.37 -0.377 . . . . 1.01 110.711 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.55 -42.05 98.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.876 0.37 . . . . 1.37 110.493 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.1 -52.23 66.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.569 -0.741 . . . . 1.65 110.404 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 m -68.23 -34.26 75.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.746 -0.661 . . . . 1.75 111.231 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 -55.65 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 1.47 111.799 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' A' ' 57' ' ' PHE . 78.5 m-85 -77.49 -4.95 48.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 2.33 111.393 -177.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.09 24.4 73.79 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.047 -0.597 . . . . 2.72 112.117 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.408 ' CG1' ' HB2' ' A' ' 19' ' ' LYS . 18.6 m -98.4 159.46 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.578 0.228 . . . . 1.67 110.691 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.6 p -141.11 -170.0 2.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.176 -0.466 . . . . 2.84 110.15 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 64' ' ' SER . 12.6 p -64.28 -20.37 26.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.266 0.555 . . . . 2.74 110.711 175.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -63.64 -37.63 88.06 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.482 0.658 . . . . 4.01 110.125 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.431 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 7.1 m-20 -68.46 -22.0 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 3.62 110.072 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 40.3 t -72.33 -25.44 61.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.173 -0.467 . . . . 3.27 109.881 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.58 -37.23 79.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 3.46 110.429 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.8 pp -83.77 29.61 0.53 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.127 0.489 . . . . 2.39 111.111 177.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HA ' ' HH ' ' A' ' 23' ' ' TYR . . . -50.96 143.24 10.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.687 -0.688 . . . . 1.89 112.417 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 72' ' ' LEU . 92.5 mt -81.35 161.72 61.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.332 -0.849 . . . . 1.72 110.496 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -47.75 -50.17 12.14 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.993 2.462 . . . . 3.19 113.256 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -116.75 160.18 21.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.022 -0.362 . . . . 3.24 110.022 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.9 p -72.99 142.48 47.75 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.474 0.654 . . . . 1.99 109.872 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.611 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 10.8 mp -77.35 -37.17 1.62 Allowed Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.561 -0.745 . . . . 2.33 113.0 -172.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 81.5 Cg_exo -53.12 -31.27 53.93 Favored 'Trans proline' 0 C--N 1.348 0.516 0 CA-C-N 120.325 1.152 . . . . 1.23 111.741 168.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -74.08 -35.77 64.24 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.158 -0.474 . . . . 2.28 109.865 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.611 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 8.2 mm -53.26 -49.39 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.9 -0.591 . . . . 2.04 109.787 169.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 1.671 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -61.85 -46.65 88.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.404 -0.817 . . . . 3.08 111.477 -179.705 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.479 ' O ' ' HB ' ' A' ' 81' ' ' THR . 45.4 mt-10 -61.23 -21.66 64.07 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.955 -0.298 . . . . 2.52 111.213 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.88 -64.65 1.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.4 -0.364 . . . . 1.24 111.494 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.58 -47.03 18.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.159 0.504 . . . . 1.47 111.875 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.411 ' HB2' ' HG ' ' B' ' 72' ' ' LEU . . . -81.66 -1.14 45.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.613 -0.721 . . . . 1.7 112.236 -171.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.479 ' HB ' ' O ' ' A' ' 77' ' ' GLU . 6.3 t -70.28 -3.12 15.66 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.369 0.507 . . . . 2.49 112.369 -174.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.96 51.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 119.544 -1.313 . . . . 2.64 114.124 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.493 -0.765 . . . . 4.9 110.464 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 85.4 mmm . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.955 0.407 . . . . 4.05 110.455 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.56 ' OD1' ' HG3' ' B' ' 19' ' ' LYS . 13.5 t70 -78.45 119.06 21.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 2.42 110.229 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -76.28 -27.53 56.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.534 -0.303 . . . . 2.52 111.374 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -58.56 -55.68 31.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.406 -0.361 . . . . 2.39 111.267 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.56 ' HG3' ' OD1' ' B' ' 16' ' ' ASP . 0.1 OUTLIER -70.86 -23.05 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.706 -0.398 . . . . 1.97 111.175 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.535 ' N ' ' HD3' ' B' ' 19' ' ' LYS . 83.3 mtm180 -75.55 -34.65 60.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.408 . . . . 3.01 110.554 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.659 ' HB2' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -65.75 -35.32 80.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.905 -0.589 . . . . 1.27 109.638 178.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.46 -61.3 2.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.74 -0.663 . . . . 1.42 111.927 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.52 ' CE2' ' HA ' ' B' ' 20' ' ' ARG . 8.0 p90 -64.2 -34.49 78.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.986 0.422 . . . . 3.41 110.709 -174.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.64 98.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.722 -0.672 . . . . 1.62 110.845 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.0 mt -67.69 -41.83 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 1.54 110.006 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.4 HG21 HG21 ' B' ' 50' ' ' ILE . 67.2 mt -54.56 -55.86 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 1.37 111.718 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -60.72 -41.75 95.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 1.67 111.116 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . 0.455 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 79.0 t80 -66.15 -45.07 82.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.125 -0.489 . . . . 2.76 110.294 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 5.4 mp -65.77 -27.5 68.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 1.28 111.167 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -70.81 -46.08 63.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.88 0.371 . . . . 1.63 110.175 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.85 -44.77 88.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.504 0.669 . . . . 1.98 110.074 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -61.11 -33.06 72.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.948 -1.024 . . . . 1.93 111.001 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.4 OUTLIER -64.33 -49.9 69.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.82 -0.627 . . . . 1.76 109.692 178.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -69.26 -25.67 64.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 4.03 110.803 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -83.01 -3.3 57.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.886 0.374 . . . . 3.47 111.409 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.56 39.71 97.92 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.58 112.731 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.08 -46.56 93.77 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.895 -0.669 . . . . 0.53 112.272 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.48 177.17 6.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.258 -0.275 . . . . 1.21 110.258 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.6 t -75.82 173.71 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.098 -0.334 . . . . 1.7 110.098 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -58.69 -52.71 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.622 0.248 . . . . 1.96 111.588 -173.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.35 -39.5 94.01 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.184 0.516 . . . . 2.21 110.576 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -64.23 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 1.13 110.769 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.515 ' O ' HD22 ' B' ' 33' ' ' LEU . 34.5 mt-30 -57.36 -59.79 4.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 1.74 110.788 175.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -46.93 -44.41 19.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.287 -0.869 . . . . 2.36 110.981 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.0 t -64.87 -33.65 76.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.799 -0.637 . . . . 1.64 111.239 -178.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 27.6 mt -63.59 -46.22 86.83 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 121.155 -0.218 . . . . 1.81 110.603 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.63 -38.48 87.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.951 0.405 . . . . 1.75 110.634 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 51.3 t -64.15 -48.6 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 1.23 110.085 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.69 -38.93 89.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.869 -0.605 . . . . 1.13 111.171 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.4 HG21 HG21 ' B' ' 26' ' ' ILE . 34.8 mt -55.0 -53.25 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 1.36 111.187 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -65.07 -33.77 76.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.445 -0.343 . . . . 1.84 111.081 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -67.9 -47.72 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.404 -0.362 . . . . 1.01 110.698 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.39 -42.08 98.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 1.37 110.443 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.06 -52.24 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 1.66 110.338 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 9.4 m -68.42 -34.05 75.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.772 -0.649 . . . . 1.75 111.211 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.93 17.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 1.47 111.641 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 1.643 ' HE1' ' CE2' ' B' ' 57' ' ' PHE . 78.5 m-85 -77.21 -5.13 48.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.899 0.38 . . . . 2.32 111.505 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.02 24.69 73.23 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.987 -0.625 . . . . 2.73 112.078 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.409 ' CG1' ' HB2' ' B' ' 19' ' ' LYS . 18.8 m -98.69 159.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.695 0.283 . . . . 1.67 110.779 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 38.2 p -141.14 -171.12 3.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.127 -0.488 . . . . 2.84 110.013 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' B' ' 64' ' ' SER . 12.4 p -63.54 -20.49 26.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.147 0.498 . . . . 2.73 110.667 175.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -63.46 -37.85 88.88 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.538 0.685 . . . . 4.0 110.162 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.447 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 7.0 m-20 -68.27 -22.07 64.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.672 -0.695 . . . . 3.62 110.114 177.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' B' ' 61' ' ' VAL . 38.9 t -72.27 -25.39 61.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.082 -0.508 . . . . 3.28 109.871 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -68.59 -37.08 79.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 3.46 110.402 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.8 pp -83.23 27.63 0.56 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.037 0.446 . . . . 2.39 111.298 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.486 ' HA ' ' HH ' ' B' ' 23' ' ' TYR . . . -49.73 143.1 7.71 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.728 -0.669 . . . . 1.89 112.604 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.43 HD13 HD13 ' B' ' 72' ' ' LEU . 92.6 mt -81.38 161.65 61.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.523 -0.762 . . . . 1.72 110.55 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -47.86 -49.67 13.25 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.977 2.451 . . . . 3.2 113.331 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -117.0 160.22 21.29 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.851 -0.426 . . . . 3.24 109.851 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 32.9 p -73.04 144.78 47.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.39 0.614 . . . . 1.98 109.505 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.623 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 10.9 mp -79.2 -37.12 1.19 Allowed Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.547 -0.751 . . . . 2.33 112.902 -172.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 81.8 Cg_exo -53.14 -31.36 54.51 Favored 'Trans proline' 0 C--N 1.347 0.481 0 CA-C-N 120.167 1.095 . . . . 1.23 111.613 168.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.92 -35.84 64.64 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.195 -0.457 . . . . 2.27 109.81 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.623 ' HB ' ' O ' ' B' ' 72' ' ' LEU . 8.2 mm -53.25 -49.29 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.916 -0.584 . . . . 2.04 109.799 169.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 1.616 ' HD1' ' CD2' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -61.92 -46.75 87.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.293 -0.867 . . . . 3.08 111.518 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' B' ' 81' ' ' THR . 45.2 mt-10 -60.9 -22.91 64.8 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.91 -0.316 . . . . 2.51 111.012 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.23 -64.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.945 0.403 . . . . 1.24 111.846 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.76 -47.46 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.421 0.629 . . . . 1.47 111.934 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.411 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . . . -78.08 -7.65 57.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.213 -0.903 . . . . 1.7 112.217 -172.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' B' ' 77' ' ' GLU . 6.2 t -67.48 -2.23 6.13 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.548 0.573 . . . . 2.49 112.548 -172.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.78 51.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 119.541 -1.314 . . . . 2.63 113.985 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.372 -0.823 . . . . 4.9 110.406 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 120.646 0.26 . . . . 2.4 110.308 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -81.78 -6.35 58.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.959 0.409 . . . . 2.52 109.909 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -62.72 -46.46 88.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 2.39 110.767 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 20' ' ' ARG . 12.9 ptpt -65.96 -34.64 78.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 1.98 110.418 178.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.596 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 95.5 mtt180 -71.18 -37.24 72.18 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.602 -0.726 . . . . 3.0 109.791 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.549 HD11 ' CD2' ' B' ' 76' ' ' PHE . 8.7 tp -55.83 -47.52 77.08 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.958 -1.019 . . . . 1.28 110.121 172.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.1 -60.23 3.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.876 -0.602 . . . . 1.42 112.51 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 1.66 ' HD1' ' CD2' ' A' ' 23' ' ' TYR . 1.8 p90 -64.07 -37.96 89.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.762 0.315 . . . . 3.42 110.966 -172.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 1.62 110.657 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.448 ' CG2' HD23 ' A' ' 29' ' ' LEU . 23.4 mt -64.2 -43.97 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 1.54 109.879 173.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.12 -46.35 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 1.37 111.028 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 27.1 mm-40 -56.35 -52.07 65.94 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.898 0.38 . . . . 1.68 110.903 -178.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.641 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 28.9 t80 -70.44 -47.86 58.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.977 -0.556 . . . . 2.76 111.298 -178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 8.8 mp -65.21 -28.79 69.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.761 0.282 . . . . 1.28 111.761 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -67.09 -43.59 82.18 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.945 -0.391 . . . . 1.62 109.945 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.72 -45.59 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 1.98 109.91 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.422 HE21 ' HB3' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -59.45 -38.55 81.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.306 -0.861 . . . . 1.92 111.054 178.008 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.31 -45.99 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.625 -0.509 . . . . 1.76 109.625 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -68.59 -34.95 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.784 -0.644 . . . . 4.02 110.559 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -73.28 -35.81 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.657 -0.702 . . . . 3.46 111.458 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.77 43.69 2.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.918 -0.658 . . . . 0.58 112.214 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.18 -65.66 2.82 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.004 -0.617 . . . . 0.52 112.855 -177.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.88 -174.78 5.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.7 0.286 . . . . 1.21 111.191 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.8 m -77.24 177.87 7.55 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.89 0.329 . . . . 1.7 111.89 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 p -59.6 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.97 112.047 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.49 -32.67 72.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.296 0.57 . . . . 2.2 110.683 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.86 65.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.455 -0.793 . . . . 1.13 110.707 177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -52.37 -60.26 3.44 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.266 0.626 . . . . 1.74 112.621 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' HG21 ' A' ' 48' ' ' VAL . 9.5 pt-20 -53.51 -44.52 69.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.845 0.313 . . . . 2.36 111.845 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.6 m -65.71 -34.72 78.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.579 0.705 . . . . 1.64 110.151 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.502 ' O ' HG13 ' A' ' 50' ' ' ILE . 21.8 tp -70.23 -35.41 73.82 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.069 -0.968 . . . . 1.81 110.763 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.13 -39.02 92.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.116 0.484 . . . . 1.76 109.802 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 44' ' ' GLU . 54.5 t -62.75 -42.53 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.65 . . . . 1.23 109.725 175.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.78 -40.71 76.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.743 -0.662 . . . . 1.12 111.252 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 46' ' ' LEU . 70.7 mt -55.48 -52.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 1.35 110.922 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.82 -27.73 65.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 1.84 111.461 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 70.7 m -70.79 -45.74 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.017 -0.273 . . . . 1.01 110.471 177.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.27 -41.94 99.06 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.663 -0.495 . . . . 1.37 109.663 175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -50.07 -56.07 12.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.756 -1.111 . . . . 1.65 110.615 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.0 m -69.55 -35.26 75.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.436 -0.802 . . . . 1.75 111.527 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.0 -56.61 13.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 1.47 112.059 -176.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -80.13 -5.51 56.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.892 0.377 . . . . 2.33 111.192 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.49 32.86 71.65 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.036 -0.602 . . . . 2.72 111.752 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -104.6 148.4 9.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.028 0.442 . . . . 1.67 111.021 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.0 p -137.94 -168.45 2.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.634 -0.712 . . . . 2.84 110.251 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.02 -21.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.988 0.423 . . . . 2.74 110.473 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -63.82 -42.56 97.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.56 0.695 . . . . 4.01 109.711 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -73.32 -15.27 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.604 -0.725 . . . . 3.62 110.148 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.427 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 15.7 m -86.9 -11.95 49.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.707 -0.679 . . . . 3.27 109.842 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 67' ' ' ALA . 27.2 t70 -81.7 -32.08 31.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 3.46 110.282 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -80.15 28.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.2 0.524 . . . . 2.39 110.533 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' ' 65' ' ' ASP . . . -49.83 133.29 22.06 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.102 -0.954 . . . . 1.89 112.58 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' HG ' ' HH ' ' A' ' 23' ' ' TYR . 63.9 mt -73.37 158.53 86.52 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 114.726 -1.124 . . . . 1.72 110.125 177.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -40.55 -46.84 4.55 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.47 2.78 . . . . 3.19 113.596 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -128.76 153.34 47.47 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.698 -0.482 . . . . 3.24 109.698 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.85 139.97 57.78 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.576 0.703 . . . . 1.99 110.911 177.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.813 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 37.3 mt -71.74 -35.13 3.46 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 113.994 1.109 . . . . 2.33 113.994 -170.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -50.49 -30.58 28.1 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.497 1.464 . . . . 1.23 112.731 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.26 -38.86 63.32 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.725 0.298 . . . . 2.28 110.345 176.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 20.8 mm -54.19 -48.09 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 121.286 0.565 . . . . 2.04 109.915 173.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.809 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 0.4 OUTLIER -63.63 -40.09 96.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.337 -0.847 . . . . 3.08 111.276 179.008 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.35 -29.99 70.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.267 0.555 . . . . 2.52 110.346 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.26 -52.44 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 1.24 111.891 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.82 -44.19 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.681 0.623 . . . . 1.47 112.681 -170.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.91 -9.76 59.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.302 0.482 . . . . 1.7 112.302 -169.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -72.13 2.2 6.23 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.394 0.516 . . . . 2.49 112.394 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.16 156.25 9.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.899 -0.667 . . . . 2.64 112.358 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.778 -0.629 . . . . 4.9 111.636 179.509 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.916 -0.402 . . . . 4.05 109.916 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -73.86 115.82 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.318 -0.401 . . . . 2.42 110.369 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -81.76 -6.55 59.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.093 0.473 . . . . 2.52 109.934 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -62.66 -46.56 87.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 2.39 110.785 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' B' ' 20' ' ' ARG . 12.9 ptpt -65.87 -34.74 78.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.069 0.462 . . . . 1.97 110.339 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.593 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . 95.5 mtt180 -71.05 -37.34 72.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.683 -0.69 . . . . 3.01 109.891 -178.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.556 HD11 ' CD2' ' A' ' 76' ' ' PHE . 8.8 tp -55.68 -47.56 76.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.928 -1.033 . . . . 1.27 110.143 172.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.2 -60.14 4.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.911 -0.586 . . . . 1.42 112.53 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 1.642 ' HE1' ' CE2' ' B' ' 23' ' ' TYR . 1.9 p90 -64.11 -37.88 89.06 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.862 -0.335 . . . . 3.41 110.936 -172.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.96 0.41 . . . . 1.62 110.621 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.442 ' CG2' HD23 ' B' ' 29' ' ' LEU . 23.0 mt -64.24 -43.93 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.819 -0.628 . . . . 1.54 109.857 173.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.13 -46.23 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.37 111.085 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 27.8 mm-40 -56.41 -51.98 66.33 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.901 0.381 . . . . 1.67 110.96 -178.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . 1.641 ' HE2' ' CE1' ' B' ' 28' ' ' PHE . 29.0 t80 -70.48 -47.86 58.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.945 -0.57 . . . . 2.76 111.326 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 8.8 mp -65.36 -28.64 69.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.765 0.283 . . . . 1.28 111.765 -176.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -67.16 -43.75 81.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.891 -0.411 . . . . 1.63 109.891 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.73 -45.36 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 1.98 109.82 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.62 -38.47 81.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.386 -0.825 . . . . 1.93 111.06 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -63.37 -46.05 88.29 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.668 -0.493 . . . . 1.76 109.668 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -68.52 -35.25 77.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.68 . . . . 4.03 110.391 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -73.05 -35.93 66.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.84 -0.618 . . . . 3.47 111.416 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.28 42.81 2.69 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.836 -0.697 . . . . 0.58 112.258 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.72 -65.47 2.95 Favored Glycine 0 C--O 1.235 0.172 0 C-N-CA 121.009 -0.615 . . . . 0.53 112.986 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.95 -174.91 5.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.688 0.28 . . . . 1.21 111.157 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 32.2 m -77.1 177.92 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.458 -0.337 . . . . 1.7 111.891 -177.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.0 p -60.0 -63.66 1.22 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.322 -0.399 . . . . 1.96 112.052 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.75 -32.83 73.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.189 0.519 . . . . 2.21 110.604 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.1 64.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.496 -0.774 . . . . 1.13 110.827 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -52.21 -60.22 3.46 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 112.716 0.635 . . . . 1.74 112.716 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.434 ' O ' HG21 ' B' ' 48' ' ' VAL . 9.5 pt-20 -53.61 -44.52 69.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.58 -0.282 . . . . 2.36 111.728 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -65.76 -34.68 78.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.532 0.682 . . . . 1.64 110.092 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.479 ' O ' HG13 ' B' ' 50' ' ' ILE . 22.0 tp -70.25 -35.45 73.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.143 -0.935 . . . . 1.81 110.658 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.09 -38.98 92.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.116 0.484 . . . . 1.75 109.806 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.434 HG21 ' O ' ' B' ' 44' ' ' GLU . 54.3 t -62.8 -42.47 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.797 -0.638 . . . . 1.23 109.643 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.91 -40.64 76.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.761 -0.654 . . . . 1.13 111.208 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 46' ' ' LEU . 70.8 mt -55.36 -52.86 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 1.36 110.993 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.75 -27.76 65.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 1.84 111.577 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 70.9 m -70.76 -45.7 64.28 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.007 -0.277 . . . . 1.01 110.509 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.32 -41.97 98.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.16 0.505 . . . . 1.37 109.668 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -49.9 -56.02 12.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.762 -1.108 . . . . 1.66 110.746 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 27.5 m -69.89 -34.73 73.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.32 -0.855 . . . . 1.75 111.627 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.28 -56.6 13.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 1.47 112.059 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -80.25 -5.44 56.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.81 0.338 . . . . 2.32 111.183 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.73 32.52 70.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.902 -0.666 . . . . 2.73 111.834 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -104.64 148.44 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.99 0.424 . . . . 1.67 111.021 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 30.2 p -138.26 -170.26 2.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.532 -0.758 . . . . 2.84 110.219 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.3 p -60.67 -21.12 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.931 0.396 . . . . 2.73 110.511 175.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -63.76 -42.47 97.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.524 0.678 . . . . 4.0 109.883 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -73.47 -15.23 61.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.585 -0.734 . . . . 3.62 110.112 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.426 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 15.4 m -86.5 -12.68 48.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.708 -0.678 . . . . 3.28 109.859 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' B' ' 67' ' ' ALA . 27.3 t70 -81.17 -32.42 33.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.966 -0.561 . . . . 3.46 110.262 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.5 27.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.184 0.516 . . . . 2.39 110.691 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' B' ' 65' ' ' ASP . . . -48.78 133.12 17.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.015 -0.993 . . . . 1.89 112.679 -176.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 63.4 mt -73.32 158.52 86.6 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 114.832 -1.076 . . . . 1.72 110.042 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -40.64 -46.66 4.65 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.606 2.871 . . . . 3.2 113.699 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -128.61 154.47 46.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.604 -0.517 . . . . 3.24 109.604 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.83 143.55 54.54 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.66 0.743 . . . . 1.98 110.128 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.809 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 37.1 mt -74.3 -35.01 2.11 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 114.95 -1.023 . . . . 2.33 113.654 -170.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -50.46 -30.56 27.81 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.47 1.447 . . . . 1.23 112.746 171.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.31 -38.75 63.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.657 0.265 . . . . 2.27 110.375 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' B' ' 72' ' ' LEU . 20.8 mm -54.37 -48.02 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 121.273 0.558 . . . . 2.04 109.912 173.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.813 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -63.62 -40.16 96.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.329 -0.851 . . . . 3.08 111.211 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.36 -30.34 70.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.24 0.543 . . . . 2.51 110.237 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.65 -52.47 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.835 -0.62 . . . . 1.24 112.064 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.83 -44.51 10.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.812 0.671 . . . . 1.47 112.812 -170.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.86 -11.67 60.91 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.325 0.491 . . . . 1.7 112.325 -169.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -70.71 1.8 4.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.625 0.602 . . . . 2.49 112.625 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.38 156.08 9.64 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.777 -0.725 . . . . 2.63 112.443 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.822 -0.609 . . . . 4.9 111.717 179.553 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.067 0.46 . . . . 2.4 111.381 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.496 HD22 ' HB3' ' B' ' 76' ' ' PHE . 2.4 t-20 -82.34 -41.98 19.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.358 -0.837 . . . . 2.52 111.077 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -62.38 -48.1 81.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.975 -0.557 . . . . 2.39 111.812 -172.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -68.89 -28.22 66.49 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.786 -0.366 . . . . 1.98 111.313 -179.042 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.522 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 95.8 mtt180 -75.73 -36.22 59.99 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.761 -0.375 . . . . 3.0 110.137 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.92 -45.17 91.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.58 -0.737 . . . . 1.28 110.601 175.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.502 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -57.6 -65.96 0.55 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 1.42 112.664 -176.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 1.661 ' HE1' ' CE2' ' A' ' 23' ' ' TYR . 3.2 p90 -62.95 -33.34 75.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 3.42 110.626 -172.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' HB2' ' CG ' ' A' ' 72' ' ' LEU . . . -61.86 -42.47 99.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.662 -0.699 . . . . 1.62 111.194 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 55.5 mt -68.56 -36.25 73.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.839 -0.619 . . . . 1.54 109.923 175.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 22' ' ' ALA . 65.9 mt -58.82 -38.79 74.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.324 -0.398 . . . . 1.37 110.193 174.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 31.2 mm-40 -54.51 -52.09 63.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.349 0.595 . . . . 1.68 110.638 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.473 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 66.2 t80 -69.22 -48.15 62.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.358 -0.837 . . . . 2.76 110.567 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.554 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 8.6 mp -61.16 -30.75 70.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 1.28 111.753 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -59.92 -57.74 11.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.111 0.482 . . . . 1.62 110.71 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -34.69 71.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.938 -0.574 . . . . 1.98 110.652 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -64.37 -32.87 74.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.768 -0.651 . . . . 1.92 110.467 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.554 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -62.51 -54.15 44.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.622 -0.717 . . . . 1.76 109.599 178.664 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.502 -0.772 . . . . 4.02 111.017 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -83.39 -15.17 50.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 3.46 111.021 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.77 42.89 15.89 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.113 -0.565 . . . . 0.58 112.42 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.5 -44.48 96.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.062 -0.59 . . . . 0.52 112.988 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.04 -176.08 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.571 0.224 . . . . 1.21 110.818 -178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -73.62 -176.84 2.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.378 -0.373 . . . . 1.7 110.895 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 p -62.92 -60.92 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.001 0.371 . . . . 1.97 112.001 -175.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.32 -37.56 85.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.291 0.567 . . . . 2.2 110.444 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' B' ' 56' ' ' ALA . . . -60.99 -39.17 88.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.287 -0.869 . . . . 1.13 110.929 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.518 ' O ' HD22 ' A' ' 33' ' ' LEU . 8.9 tt0 -59.47 -53.6 56.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.713 -0.676 . . . . 1.74 110.316 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -56.99 -34.22 67.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.024 -0.535 . . . . 2.36 110.732 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -70.07 -27.46 64.64 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.698 -0.683 . . . . 1.64 111.232 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 55.7 mt -62.94 -49.46 74.66 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.774 -0.454 . . . . 1.81 109.774 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.63 -42.4 83.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 1.76 110.751 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.0 -48.89 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.23 110.2 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.94 80.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.806 -0.634 . . . . 1.12 111.367 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 46' ' ' LEU . 63.5 mt -55.57 -52.52 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 1.35 110.525 176.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -64.9 -35.73 82.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 1.84 110.57 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.1 m -66.02 -51.69 56.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 1.01 110.973 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.6 mt -67.71 -35.73 79.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.392 0.139 . . . . 1.37 111.209 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 28.4 tt0 -56.96 -50.45 72.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.186 0.517 . . . . 1.65 109.684 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.7 m -72.11 -28.21 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.445 -0.798 . . . . 1.75 111.249 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' B' ' 42' ' ' ALA . . . -74.54 -56.05 5.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.168 -0.469 . . . . 1.47 112.015 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 22' ' ' ALA . 46.6 m-85 -73.81 -12.61 60.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.955 0.407 . . . . 2.33 111.033 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.14 34.99 31.56 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.815 -0.63 . . . . 2.72 111.91 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 27.7 m -107.51 163.06 5.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.676 0.274 . . . . 1.67 110.479 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.0 p -142.58 -172.48 3.64 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.007 -0.542 . . . . 2.84 110.317 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 64' ' ' SER . 14.4 p -67.83 -18.68 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.214 0.531 . . . . 2.74 110.34 174.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.65 -39.4 80.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 4.01 109.739 173.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -71.41 -20.02 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.585 -0.734 . . . . 3.62 109.529 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.486 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 38.7 t -76.02 -23.55 55.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.319 -0.855 . . . . 3.27 110.034 173.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.39 -34.85 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 3.46 110.733 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp -82.08 26.92 0.5 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.362 -0.381 . . . . 2.39 111.364 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.522 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -52.19 133.19 34.02 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.986 0.735 . . . . 1.89 112.986 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.39 145.37 98.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.359 -0.837 . . . . 1.72 110.333 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.22 -49.8 15.77 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.156 2.571 . . . . 3.19 112.528 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.466 HE22 ' HB3' ' B' ' 83' ' ' LYS . 22.1 pt20 -75.56 141.29 42.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.348 -0.842 . . . . 3.24 110.24 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.554 ' O ' HG12 ' A' ' 75' ' ' ILE . 2.3 p -76.36 135.09 39.51 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.541 -0.54 . . . . 1.99 109.541 174.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.417 ' HB2' ' HD3' ' A' ' 73' ' ' PRO . 3.8 mm? -81.36 -50.1 0.95 Allowed Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 113.562 0.949 . . . . 2.33 113.562 -165.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.546 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 68.5 Cg_exo -57.08 -28.91 81.08 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.046 1.164 . . . . 1.23 111.955 172.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.75 -45.4 64.88 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.966 0.412 . . . . 2.28 110.223 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 71' ' ' THR . 23.6 mm -58.34 -38.24 68.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.564 0.697 . . . . 2.04 109.759 173.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.492 ' HB3' HD22 ' B' ' 17' ' ' ASN . 2.2 t80 -63.97 -31.35 72.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.046 -0.979 . . . . 3.08 110.24 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 43.3 mt-10 -67.58 -42.86 81.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.095 0.474 . . . . 2.52 110.557 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.02 -51.64 15.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.073 -0.512 . . . . 1.24 111.844 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.79 -64.23 1.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 1.47 111.703 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.68 69.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.707 -0.678 . . . . 1.7 111.922 -171.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.535 ' HB ' ' O ' ' A' ' 77' ' ' GLU . 3.7 m -95.75 -8.67 33.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.329 0.585 . . . . 2.49 110.617 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.14 -36.27 6.03 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.877 -0.677 . . . . 2.64 112.312 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HB3' HE22 ' B' ' 70' ' ' GLN . 28.8 tptp . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.384 -0.817 . . . . 4.9 110.015 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.714 0.292 . . . . 4.05 110.404 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -105.08 130.63 53.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.13 0.491 . . . . 2.42 111.307 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.492 HD22 ' HB3' ' A' ' 76' ' ' PHE . 2.4 t-20 -82.52 -42.17 18.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.319 -0.855 . . . . 2.52 110.902 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -62.25 -48.1 81.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 2.39 111.753 -172.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' B' ' 20' ' ' ARG . 0.1 OUTLIER -68.94 -28.23 66.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.703 -0.399 . . . . 1.97 111.329 -178.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.522 ' N ' ' HD3' ' B' ' 19' ' ' LYS . 95.8 mtt180 -75.63 -36.32 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 3.01 110.14 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.81 -45.21 90.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.587 -0.733 . . . . 1.27 110.628 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.51 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -57.59 -66.05 0.53 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 1.42 112.615 -176.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 1.63 ' HE1' ' CE2' ' B' ' 23' ' ' TYR . 3.2 p90 -62.84 -33.41 75.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 3.41 110.623 -172.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.414 ' HB2' ' CG ' ' B' ' 72' ' ' LEU . . . -61.76 -42.61 99.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.575 -0.739 . . . . 1.62 111.118 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 55.8 mt -68.56 -36.21 73.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.887 -0.597 . . . . 1.54 109.935 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' B' ' 23' ' ' TYR . 65.8 mt -58.85 -38.84 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.307 -0.406 . . . . 1.37 110.208 174.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 31.4 mm-40 -54.32 -52.3 61.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.338 0.589 . . . . 1.67 110.667 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . 0.464 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 66.1 t80 -69.21 -47.99 63.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.314 -0.857 . . . . 2.76 110.605 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 8.6 mp -61.18 -30.79 70.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 1.28 111.754 -178.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -59.86 -57.68 11.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.1 0.476 . . . . 1.63 110.724 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -34.89 71.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.94 -0.573 . . . . 1.98 110.63 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -64.07 -33.02 74.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.725 -0.67 . . . . 1.93 110.466 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.6 OUTLIER -62.5 -53.89 48.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.654 -0.703 . . . . 1.76 109.606 178.839 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -69.47 -25.65 64.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.479 -0.782 . . . . 4.03 110.909 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -83.81 -14.82 50.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.867 0.365 . . . . 3.47 111.099 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.82 42.29 17.13 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.971 -0.633 . . . . 0.58 112.449 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.97 -44.97 96.6 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.96 -0.638 . . . . 0.53 113.015 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.57 -176.08 3.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.613 0.244 . . . . 1.21 110.84 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -73.58 -177.02 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 1.7 110.799 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.0 p -62.64 -61.19 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.045 0.387 . . . . 1.96 112.045 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -66.04 -37.6 86.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.27 0.557 . . . . 2.21 110.478 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 56' ' ' ALA . . . -61.03 -39.05 88.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.385 -0.825 . . . . 1.13 110.97 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.525 ' O ' HD22 ' B' ' 33' ' ' LEU . 8.9 tt0 -59.54 -53.69 55.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.657 -0.701 . . . . 1.74 110.299 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -56.93 -34.03 67.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 2.36 110.785 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -70.42 -27.31 64.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.706 -0.679 . . . . 1.64 111.155 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.484 ' HB2' ' CD2' ' B' ' 33' ' ' LEU . 56.3 mt -62.93 -49.57 74.25 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.847 -0.427 . . . . 1.81 109.847 176.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.73 -42.28 83.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.791 -0.64 . . . . 1.75 110.818 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.01 -48.84 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 1.23 110.216 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.92 80.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.636 . . . . 1.13 111.386 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 46' ' ' LEU . 63.5 mt -55.64 -52.42 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 1.36 110.565 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -64.87 -36.04 83.06 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.163 -0.471 . . . . 1.84 110.426 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 83.3 m -65.76 -51.83 55.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 1.01 110.984 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.0 mt -67.62 -35.65 79.33 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.348 -0.141 . . . . 1.37 111.248 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 28.7 tt0 -56.98 -50.46 72.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.267 0.555 . . . . 1.66 109.682 177.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.9 m -72.18 -28.2 63.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.413 -0.812 . . . . 1.75 111.263 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -74.66 -56.02 5.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 1.47 111.972 -176.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' B' ' 22' ' ' ALA . 47.3 m-85 -73.68 -12.77 60.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.846 0.355 . . . . 2.32 111.085 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.17 35.19 30.95 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.993 -0.622 . . . . 2.73 111.909 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.419 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 28.2 m -107.7 162.41 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.747 0.308 . . . . 1.67 110.368 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -141.68 -172.28 3.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.784 -0.644 . . . . 2.84 110.424 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' B' ' 64' ' ' SER . 14.3 p -68.05 -18.44 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.27 0.557 . . . . 2.73 110.317 174.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.71 -39.39 80.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 4.0 109.761 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.28 -20.06 62.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.538 -0.755 . . . . 3.62 109.657 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.485 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 38.4 t -76.01 -23.38 55.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.387 -0.824 . . . . 3.28 110.074 173.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.64 -34.73 67.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 3.46 110.775 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -81.83 26.34 0.51 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.311 -0.404 . . . . 2.39 111.45 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.528 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -51.85 133.01 32.29 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.012 0.745 . . . . 1.89 113.012 -176.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.28 145.46 98.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.22 -0.9 . . . . 1.72 110.29 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.57 -49.33 17.22 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 123.06 2.507 . . . . 3.2 112.667 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . 0.456 HE22 ' HB3' ' A' ' 83' ' ' LYS . 22.1 pt20 -75.92 141.75 42.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.359 -0.837 . . . . 3.24 110.108 -177.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' THR . . . . . 0.6 ' O ' HG12 ' B' ' 75' ' ' ILE . 1.6 p -76.92 140.36 40.49 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.553 -0.906 . . . . 1.98 108.553 175.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.434 ' HB2' ' HD3' ' B' ' 73' ' ' PRO . 3.8 mm? -84.03 -50.76 0.62 Allowed Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 113.578 0.955 . . . . 2.33 113.578 -166.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.542 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 69.9 Cg_exo -56.98 -28.84 80.19 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 121.194 1.263 . . . . 1.23 111.862 173.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.96 -45.27 64.41 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.886 0.374 . . . . 2.27 110.292 176.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.6 HG12 ' O ' ' B' ' 71' ' ' THR . 23.6 mm -58.28 -38.34 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 2.04 109.884 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.496 ' HB3' HD22 ' A' ' 17' ' ' ASN . 2.2 t80 -63.91 -31.33 72.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.025 -0.988 . . . . 3.08 110.257 178.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.547 ' O ' ' HB ' ' B' ' 81' ' ' THR . 43.7 mt-10 -67.49 -42.95 82.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.017 0.436 . . . . 2.51 110.54 176.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.01 -51.72 15.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 1.24 111.664 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.35 -62.52 1.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.097 0.475 . . . . 1.47 111.905 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.69 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.852 -0.613 . . . . 1.7 111.815 -171.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.547 ' HB ' ' O ' ' B' ' 77' ' ' GLU . 3.8 m -95.6 -8.83 33.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.249 0.547 . . . . 2.49 110.626 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.08 -36.28 6.04 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.856 -0.688 . . . . 2.63 112.276 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . 0.466 ' HB3' HE22 ' A' ' 70' ' ' GLN . 28.8 tptp . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.383 -0.817 . . . . 4.9 109.883 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 121.116 0.484 . . . . 2.4 111.142 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -66.93 -33.77 76.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.684 -0.689 . . . . 2.52 110.26 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.86 -48.85 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.858 -0.61 . . . . 2.39 111.629 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' A' ' 19' ' ' LYS . 20.4 ptmt -69.6 -35.92 75.74 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.901 -0.32 . . . . 1.98 111.166 -177.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 48.0 mtm105 -72.04 -33.99 68.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.097 0.475 . . . . 3.0 110.384 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' B' ' 76' ' ' PHE . 6.1 tp -59.56 -47.76 84.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.176 -0.92 . . . . 1.28 110.832 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -60.65 -62.26 1.99 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.815 0.672 . . . . 1.42 112.815 -175.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 1.635 ' HE1' ' CE2' ' A' ' 23' ' ' TYR . 4.2 p90 -60.74 -37.97 83.6 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.891 0.377 . . . . 3.42 111.325 -170.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.15 99.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.986 -0.552 . . . . 1.62 110.969 -177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.403 ' O ' HD11 ' A' ' 29' ' ' LEU . 46.3 mt -72.43 -38.34 60.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.078 -0.51 . . . . 1.54 109.908 177.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.33 -49.45 52.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 1.37 111.496 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -60.02 -45.32 93.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 1.68 111.162 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.639 ' HE1' ' CE2' ' A' ' 28' ' ' PHE . 86.0 t80 -66.69 -37.88 85.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.244 0.545 . . . . 2.76 110.689 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.48 ' HA ' HE21 ' A' ' 32' ' ' GLN . 7.2 mp -70.9 -28.18 64.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 1.28 110.823 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -61.44 -46.04 91.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 1.62 110.103 174.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.15 -50.75 70.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 1.98 110.204 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.48 HE21 ' HA ' ' A' ' 29' ' ' LEU . 19.2 mt-30 -52.68 -40.93 63.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 1.92 111.521 176.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -51.38 69.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.687 -0.688 . . . . 1.76 111.006 -176.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -91.59 -14.56 30.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.327 0.492 . . . . 4.02 112.327 -171.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -93.29 -7.42 45.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 3.46 111.143 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.59 43.05 10.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.58 112.667 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.39 -73.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.52 111.795 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 38' ' ' LEU . 3.2 mm? -69.02 170.56 9.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.255 -0.276 . . . . 1.21 110.255 174.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -71.25 165.5 23.53 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.304 -0.258 . . . . 1.7 110.304 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -57.44 -54.16 49.97 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.747 0.277 . . . . 1.97 111.747 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.85 -36.15 74.11 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.269 0.557 . . . . 2.2 110.547 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' B' ' 56' ' ' ALA . . . -67.05 -48.0 69.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.331 -0.85 . . . . 1.13 110.514 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -49.22 -58.24 5.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.69 -0.686 . . . . 1.74 111.779 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.46 ' O ' HG21 ' A' ' 48' ' ' VAL . 41.1 mt-10 -43.32 -53.59 5.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.314 -0.857 . . . . 2.36 111.92 177.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.9 t -73.81 -28.11 61.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.47 . . . . 1.64 110.639 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.85 -44.22 90.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 1.81 110.894 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.94 -36.14 81.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.844 0.354 . . . . 1.76 110.112 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 44' ' ' GLU . 94.5 t -60.43 -44.45 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.71 -0.478 . . . . 1.23 109.71 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.72 81.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.713 -0.676 . . . . 1.12 111.18 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.6 mt -54.92 -57.23 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 1.35 111.261 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -63.6 -31.74 73.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.467 -0.333 . . . . 1.84 111.72 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.1 m -69.11 -44.95 71.4 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.091 -0.244 . . . . 1.01 110.676 178.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.96 -39.75 93.21 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.056 0.455 . . . . 1.37 109.957 176.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -52.56 -55.97 18.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.132 -0.94 . . . . 1.65 110.831 177.146 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.7 m -72.17 -34.99 68.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.211 -0.45 . . . . 1.75 111.314 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.5 64.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.365 -0.38 . . . . 1.47 111.467 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 22' ' ' ALA . 79.0 m-85 -82.56 -10.19 59.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.852 0.358 . . . . 2.33 111.371 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.16 28.17 66.87 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.065 -0.588 . . . . 2.72 111.912 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.572 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 29.8 m -100.6 156.78 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.919 0.39 . . . . 1.67 110.577 -177.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.9 p -137.96 -174.64 3.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.86 -0.609 . . . . 2.84 110.609 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.09 -22.9 32.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.956 0.408 . . . . 2.74 110.428 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' HA ' ' OD2' ' A' ' 65' ' ' ASP . 33.5 mm-40 -64.12 -39.9 95.03 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.823 0.821 . . . . 4.01 109.775 175.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -72.12 -11.08 60.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.142 -0.935 . . . . 3.62 110.179 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 31.7 t -87.98 -18.84 28.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.683 -0.689 . . . . 3.27 109.743 175.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 67' ' ' ALA . 33.7 m-20 -72.14 -34.51 68.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.222 -0.444 . . . . 3.46 110.303 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.93 27.46 0.23 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.186 -0.461 . . . . 2.39 110.945 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 65' ' ' ASP . . . -48.42 130.45 16.65 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.254 -0.885 . . . . 1.89 112.78 -176.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.401 HD13 HD12 ' A' ' 72' ' ' LEU . 96.4 mt -69.85 159.08 85.49 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 114.939 -1.028 . . . . 1.72 110.548 177.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -44.81 -50.57 8.33 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.311 2.674 . . . . 3.19 113.321 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -118.43 152.63 35.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.036 -0.529 . . . . 3.24 109.951 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.3 p -73.17 141.4 47.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.461 0.648 . . . . 1.99 110.074 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.655 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 10.1 mp -69.98 -42.59 17.93 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.115 -0.948 . . . . 2.33 113.082 -172.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.45 -31.38 68.4 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.465 1.443 . . . . 1.23 112.197 171.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -74.52 -37.69 63.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.75 0.31 . . . . 2.28 110.227 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.1 mt -55.56 -51.02 62.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.343 0.592 . . . . 2.04 110.242 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 1.668 ' HD1' ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -61.78 -36.27 80.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.35 -0.841 . . . . 3.08 111.975 -178.785 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -54.54 -35.41 63.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.098 0.475 . . . . 2.52 109.862 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.62 -55.6 3.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.081 -0.509 . . . . 1.24 111.528 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.85 -57.36 4.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.627 0.602 . . . . 1.47 112.627 -172.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.37 -21.71 61.25 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.301 0.482 . . . . 1.7 112.301 -169.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.448 ' HA ' ' NH1' ' B' ' 20' ' ' ARG . 50.7 m -74.63 -28.41 60.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.711 0.263 . . . . 2.49 111.711 -178.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -176.66 115.46 0.52 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 119.671 -1.252 . . . . 2.64 113.368 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.74 -0.647 . . . . 4.9 109.386 173.204 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.963 0.411 . . . . 4.05 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.75 127.41 31.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.83 -0.623 . . . . 2.42 111.119 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -66.98 -33.78 76.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.693 -0.685 . . . . 2.52 110.227 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.87 -48.83 80.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.888 -0.596 . . . . 2.39 111.609 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 19' ' ' LYS . 20.4 ptmt -69.58 -35.88 75.76 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.899 -0.32 . . . . 1.97 111.2 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.448 ' NH1' ' HA ' ' A' ' 81' ' ' THR . 48.0 mtm105 -72.1 -34.01 68.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.163 0.506 . . . . 3.01 110.397 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.532 HD11 ' CD2' ' A' ' 76' ' ' PHE . 6.1 tp -59.51 -47.81 84.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.189 -0.914 . . . . 1.27 110.771 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.438 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -60.7 -62.24 2.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.741 0.645 . . . . 1.42 112.741 -175.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 1.658 ' HE1' ' CE2' ' B' ' 23' ' ' TYR . 4.3 p90 -60.84 -38.01 84.03 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.904 0.383 . . . . 3.41 111.221 -170.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.31 99.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.54 . . . . 1.62 110.975 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.404 ' O ' HD11 ' B' ' 29' ' ' LEU . 46.4 mt -72.29 -38.38 61.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.096 -0.502 . . . . 1.54 109.964 177.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.4 HG21 HG21 ' B' ' 50' ' ' ILE . 47.8 mt -53.27 -49.57 51.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.504 . . . . 1.37 111.443 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -60.0 -45.32 93.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.712 0.292 . . . . 1.67 111.193 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . 1.654 ' HD2' ' CD1' ' B' ' 28' ' ' PHE . 86.1 t80 -66.76 -37.76 85.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.146 0.498 . . . . 2.76 110.665 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.477 ' HA ' HE21 ' B' ' 32' ' ' GLN . 7.2 mp -70.76 -28.29 64.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.022 -0.536 . . . . 1.28 110.86 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -61.52 -46.0 91.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 1.63 110.147 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.24 -50.58 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 1.98 110.162 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.477 HE21 ' HA ' ' B' ' 29' ' ' LEU . 19.1 mt-30 -52.72 -41.02 63.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 1.93 111.478 176.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -51.67 68.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.75 -0.659 . . . . 1.76 110.94 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -91.65 -14.17 30.56 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.347 0.499 . . . . 4.03 112.347 -171.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -93.53 -7.42 44.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.322 . . . . 3.47 111.104 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.81 42.51 11.11 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.799 -0.715 . . . . 0.58 112.696 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.81 -74.29 0.67 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.862 -0.685 . . . . 0.53 111.674 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.417 ' N ' HD23 ' B' ' 38' ' ' LEU . 3.2 mm? -68.58 170.36 9.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.336 -0.246 . . . . 1.21 110.336 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -70.98 165.5 23.28 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.377 -0.231 . . . . 1.7 110.377 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.1 t -57.68 -53.99 51.93 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.641 0.238 . . . . 1.96 111.641 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.71 -36.26 73.98 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.296 0.57 . . . . 2.21 110.553 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.06 -48.03 69.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.272 -0.876 . . . . 1.13 110.442 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -49.25 -58.14 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.407 0.683 . . . . 1.74 111.777 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.443 ' O ' HG21 ' B' ' 48' ' ' VAL . 41.3 mt-10 -43.42 -53.52 5.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.279 -0.873 . . . . 2.36 111.897 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 13.0 t -73.84 -28.18 61.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.131 0.491 . . . . 1.64 110.603 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.75 -44.33 90.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.806 -0.633 . . . . 1.81 110.922 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.84 -36.17 81.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 1.75 110.123 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.443 HG21 ' O ' ' B' ' 44' ' ' GLU . 99.4 t -60.51 -44.37 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.735 -0.468 . . . . 1.23 109.735 174.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -58.57 -39.76 81.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.654 -0.703 . . . . 1.13 111.235 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.4 HG21 HG21 ' B' ' 26' ' ' ILE . 68.2 mt -54.96 -57.22 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 1.36 111.285 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -63.54 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 1.84 111.705 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.09 -44.9 71.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.754 -0.203 . . . . 1.01 110.654 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 95.8 mt -62.16 -39.73 93.63 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.074 0.464 . . . . 1.37 109.941 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 0.1 OUTLIER -52.4 -56.07 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.091 -0.959 . . . . 1.66 110.774 177.066 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 22.1 m -72.18 -35.15 68.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.298 -0.41 . . . . 1.75 111.3 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -60.65 -52.45 65.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.981 0.42 . . . . 1.47 111.646 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' B' ' 22' ' ' ALA . 79.5 m-85 -82.58 -10.04 59.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 2.32 111.424 -178.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.04 28.18 67.09 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.927 -0.654 . . . . 2.73 111.9 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.573 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 30.7 m -100.59 156.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.722 0.296 . . . . 1.67 110.652 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 24.2 p -138.14 -174.48 3.81 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.977 -0.556 . . . . 2.84 110.487 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.38 -22.65 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.969 0.414 . . . . 2.73 110.414 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.418 ' HA ' ' OD2' ' B' ' 65' ' ' ASP . 33.2 mm-40 -64.24 -39.82 94.74 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.877 0.846 . . . . 4.0 109.757 175.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.18 -11.16 60.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.113 -0.949 . . . . 3.62 110.091 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.547 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 30.9 t -87.88 -18.99 27.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.679 -0.692 . . . . 3.28 109.694 175.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' B' ' 67' ' ' ALA . 32.8 m-20 -72.1 -34.39 68.59 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.261 -0.427 . . . . 3.46 110.323 177.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.67 26.66 0.23 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.173 -0.467 . . . . 2.39 111.088 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' B' ' 65' ' ' ASP . . . -47.75 130.34 14.51 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.226 -0.897 . . . . 1.89 112.926 -176.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.401 HD13 HD12 ' B' ' 72' ' ' LEU . 96.4 mt -69.85 159.02 85.71 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.98 -1.009 . . . . 1.72 110.611 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -45.17 -49.72 9.75 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.258 2.639 . . . . 3.2 113.422 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -118.94 152.82 35.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.474 . . . . 3.24 109.897 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -73.6 144.23 46.06 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.505 0.669 . . . . 1.98 109.584 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.656 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 10.1 mp -72.14 -42.4 9.4 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.129 -0.941 . . . . 2.33 112.93 -172.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.32 -31.48 67.53 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.447 1.432 . . . . 1.23 112.259 171.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -74.59 -37.56 62.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.451 -0.341 . . . . 2.27 110.267 178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.77 -50.99 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.275 0.559 . . . . 2.04 110.069 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 1.651 ' HE1' ' CE2' ' B' ' 76' ' ' PHE . 0.9 OUTLIER -61.81 -36.26 80.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.372 -0.831 . . . . 3.08 111.975 -178.722 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -54.48 -35.6 63.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.177 -0.465 . . . . 2.51 109.954 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.33 -55.56 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.154 -0.475 . . . . 1.24 111.569 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.06 -57.02 4.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.782 0.66 . . . . 1.47 112.782 -172.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.58 -21.87 61.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.233 0.457 . . . . 1.7 112.233 -169.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.421 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 52.1 m -74.45 -28.77 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.699 0.259 . . . . 2.49 111.699 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -176.45 115.24 0.51 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.679 -1.248 . . . . 2.63 113.393 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.599 -0.715 . . . . 4.9 109.335 173.137 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.815 0.34 . . . . 2.4 111.386 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.407 HD21 ' HB3' ' B' ' 76' ' ' PHE . 21.4 p-10 -70.24 -21.09 63.03 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.387 -0.597 . . . . 2.52 109.387 175.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -57.4 -57.75 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.842 -1.072 . . . . 2.39 111.275 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.47 -40.17 92.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.259 -0.428 . . . . 1.98 111.23 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.558 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 42.3 mtm180 -71.55 -23.88 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 3.0 110.878 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.57 -43.41 89.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.717 -0.674 . . . . 1.28 110.402 174.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -61.94 -61.52 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 1.42 112.231 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 1.637 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 4.4 p90 -62.2 -35.22 78.19 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.041 0.448 . . . . 3.42 110.771 -173.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.26 86.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.594 -0.73 . . . . 1.62 110.969 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.6 mt -67.55 -38.86 81.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.636 -0.711 . . . . 1.54 110.157 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 22' ' ' ALA . 64.7 mt -55.03 -51.21 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 1.37 111.247 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -58.29 -52.88 63.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 1.68 111.489 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.42 -46.87 88.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.946 -0.57 . . . . 2.76 110.82 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.1 mp -70.67 -25.75 63.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.324 -0.398 . . . . 1.28 111.582 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -65.89 -53.52 38.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.96 0.41 . . . . 1.62 110.537 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.99 -47.54 79.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.07 -0.514 . . . . 1.98 110.287 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.458 HE21 ' HA ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -57.02 -34.37 68.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.571 -0.741 . . . . 1.92 111.175 178.349 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.606 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.1 -40.37 97.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 1.76 110.356 -177.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -78.08 -26.76 48.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.24 -0.436 . . . . 4.02 110.834 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -75.79 -32.02 59.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 3.46 110.982 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.65 41.87 4.63 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.707 -0.679 . . . . 0.58 111.869 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.91 -54.16 32.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.971 -0.633 . . . . 0.52 112.47 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.17 -178.78 5.74 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.193 -0.299 . . . . 1.21 110.193 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 t -73.26 171.5 12.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.911 -0.131 . . . . 1.7 110.746 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -58.83 -52.62 64.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.905 0.335 . . . . 1.97 111.905 -174.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.1 -31.77 71.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.229 0.538 . . . . 2.2 110.454 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -67.38 -40.96 85.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.828 -0.624 . . . . 1.13 110.673 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.529 ' O ' HD22 ' A' ' 33' ' ' LEU . 38.5 mt-30 -52.23 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.843 -0.617 . . . . 1.74 111.645 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 47' ' ' GLU . 11.0 pt-20 -53.98 -31.74 51.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.771 -0.65 . . . . 2.36 111.821 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.4 m -67.53 -36.83 81.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.451 0.167 . . . . 1.64 110.913 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 63.9 mt -62.99 -41.15 99.49 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.929 -0.397 . . . . 1.81 109.929 177.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' A' ' 44' ' ' GLU . 48.5 mt-10 -57.54 -52.96 63.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 1.76 110.613 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.02 -41.62 77.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.999 0.428 . . . . 1.23 110.243 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -62.69 -43.63 98.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.914 -0.585 . . . . 1.12 110.788 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 46' ' ' LEU . 52.2 mt -57.0 -50.94 74.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.026 -0.534 . . . . 1.35 111.162 179.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.96 -42.17 84.45 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.941 0.4 . . . . 1.84 110.691 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 77.1 m -66.04 -47.47 74.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.541 . . . . 1.01 111.151 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 92.3 mt -60.94 -44.17 97.64 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.814 0.34 . . . . 1.37 110.514 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 37.7 tt0 -57.49 -49.66 75.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 1.65 110.712 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.4 m -69.26 -29.69 67.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.809 -0.632 . . . . 1.75 111.014 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.39 -62.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 1.47 112.028 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.436 ' CD2' ' HB3' ' A' ' 22' ' ' ALA . 86.9 m-85 -69.94 -18.11 63.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.542 -0.299 . . . . 2.33 111.746 -175.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.16 27.19 50.23 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.735 -0.745 . . . . 2.72 111.759 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.557 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 35.4 m -100.14 151.52 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.595 0.236 . . . . 1.67 110.438 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.0 p -137.91 -171.41 3.0 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.871 -0.418 . . . . 2.84 109.871 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.2 -25.78 38.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.468 . . . . 2.74 110.001 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 65' ' ' ASP . 16.2 mt-10 -68.2 -41.32 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.741 0.782 . . . . 4.01 109.781 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.455 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -74.16 -18.25 60.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.33 -0.85 . . . . 3.62 109.279 177.628 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.521 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 30.8 t -84.77 -12.65 53.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.321 -0.854 . . . . 3.27 109.845 174.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 29.6 t70 -78.95 -29.29 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.888 -0.596 . . . . 3.46 110.076 178.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.6 pp -81.52 28.78 0.39 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.199 0.524 . . . . 2.39 110.559 173.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.628 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -53.61 138.02 35.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.295 -0.866 . . . . 1.89 112.718 -176.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.53 155.29 91.47 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.109 -0.95 . . . . 1.72 110.585 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -43.54 -49.14 7.99 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.865 3.043 . . . . 3.19 113.466 -176.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -118.96 161.47 20.14 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.068 -0.345 . . . . 3.24 110.068 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 p -69.03 142.8 54.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.488 0.661 . . . . 1.99 110.723 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.459 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 3.8 mm? -79.71 -39.16 1.29 Allowed Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.307 -0.86 . . . . 2.33 112.895 -173.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 89.3 Cg_exo -54.42 -29.57 59.54 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.363 1.376 . . . . 1.23 112.159 170.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -68.92 -46.42 68.32 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.203 -0.665 . . . . 2.28 109.203 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.75 -39.5 56.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.868 -0.606 . . . . 2.04 110.252 172.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 1.2 t80 -66.52 -20.09 65.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.491 -0.777 . . . . 3.08 111.238 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 43.5 mt-10 -77.9 -36.17 49.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.043 0.449 . . . . 2.52 110.245 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.06 -58.98 2.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.694 -0.684 . . . . 1.24 112.178 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.79 -37.62 86.79 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.266 0.469 . . . . 1.47 112.266 -172.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.64 -21.27 63.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.319 -0.4 . . . . 1.7 111.546 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.5 p -99.29 6.04 46.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.113 0.482 . . . . 2.49 110.747 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.79 79.81 1.5 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.85 -0.69 . . . . 2.64 112.008 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.405 -0.807 . . . . 4.9 109.984 178.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.379 -0.6 . . . . 4.05 109.379 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.17 114.36 4.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.888 0.375 . . . . 2.42 111.41 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.4 HD21 ' HB3' ' A' ' 76' ' ' PHE . 21.2 p-10 -70.32 -21.14 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.359 -0.608 . . . . 2.52 109.359 175.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -57.33 -57.86 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.824 -1.08 . . . . 2.39 111.368 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.25 -40.27 93.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 1.97 111.259 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.561 ' HA ' ' CE2' ' B' ' 23' ' ' TYR . 42.6 mtm180 -71.49 -23.86 61.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 3.01 110.964 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.55 -43.54 89.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.709 -0.678 . . . . 1.27 110.376 174.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.47 ' O ' HG13 ' B' ' 26' ' ' ILE . . . -61.81 -61.5 2.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 1.42 112.217 -175.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 1.662 ' HD2' ' CD1' ' B' ' 23' ' ' TYR . 4.3 p90 -62.33 -35.12 78.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.042 0.449 . . . . 3.41 110.769 -173.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.47 -47.38 85.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.579 -0.737 . . . . 1.62 111.031 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 51.4 mt -67.37 -38.91 81.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.639 -0.709 . . . . 1.54 110.099 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.47 HG13 ' O ' ' B' ' 22' ' ' ALA . 64.4 mt -55.1 -51.07 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 1.37 111.287 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -58.3 -52.68 64.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.779 0.323 . . . . 1.67 111.623 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.76 -46.68 89.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.892 -0.595 . . . . 2.76 110.81 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.596 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.1 mp -70.77 -25.64 62.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.245 -0.434 . . . . 1.28 111.564 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -66.01 -53.44 38.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.984 0.421 . . . . 1.63 110.474 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.95 -47.68 79.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.555 . . . . 1.98 110.371 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' B' ' 29' ' ' LEU . 0.6 OUTLIER -56.96 -34.26 67.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.505 -0.77 . . . . 1.93 111.167 178.332 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.596 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -63.21 -40.32 97.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.37 -0.377 . . . . 1.76 110.428 -177.567 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -77.96 -26.95 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.26 -0.427 . . . . 4.03 110.865 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -75.77 -31.84 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.07 0.462 . . . . 3.47 110.971 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.41 42.13 4.64 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.952 -0.642 . . . . 0.58 111.769 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.91 -54.34 31.44 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.973 -0.632 . . . . 0.53 112.38 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.15 -178.66 5.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.152 -0.314 . . . . 1.21 110.152 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.0 t -73.31 171.49 12.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.828 -0.169 . . . . 1.7 110.646 -178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.1 m -58.86 -52.6 65.04 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 111.873 0.323 . . . . 1.96 111.873 -174.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -68.0 -31.77 71.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.327 0.584 . . . . 2.21 110.504 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -67.5 -40.76 85.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 1.13 110.71 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.537 ' O ' HD22 ' B' ' 33' ' ' LEU . 38.3 mt-30 -52.32 -65.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.817 -0.629 . . . . 1.74 111.588 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' B' ' 47' ' ' GLU . 10.9 pt-20 -53.88 -31.95 51.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.768 -0.651 . . . . 2.36 111.779 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -67.21 -37.06 83.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.539 0.209 . . . . 1.64 110.862 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 63.6 mt -63.09 -41.01 99.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.854 -0.424 . . . . 1.81 109.854 177.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' B' ' 44' ' ' GLU . 47.5 mt-10 -57.37 -53.26 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 1.75 110.632 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.402 HG21 ' O ' ' B' ' 44' ' ' GLU . 37.2 t -56.96 -41.55 77.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 1.23 110.207 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -62.81 -43.5 98.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.963 -0.562 . . . . 1.13 110.818 176.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.404 HG13 ' O ' ' B' ' 46' ' ' LEU . 52.4 mt -57.02 -50.83 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.999 -0.546 . . . . 1.36 111.234 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.09 -42.07 84.81 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.862 0.363 . . . . 1.84 110.716 178.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 76.7 m -66.06 -47.5 74.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 1.01 111.12 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 92.4 mt -60.91 -44.1 97.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 1.37 110.556 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 37.9 tt0 -57.61 -49.57 75.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.744 -0.662 . . . . 1.66 110.738 177.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.4 m -69.47 -29.57 67.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.758 -0.656 . . . . 1.75 110.989 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.25 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 1.47 111.913 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' B' ' 22' ' ' ALA . 86.8 m-85 -69.79 -18.44 63.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 2.32 111.68 -175.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.57 27.08 48.79 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.758 -0.735 . . . . 2.73 111.624 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.556 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 35.5 m -100.09 151.58 5.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.591 0.234 . . . . 1.67 110.39 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 57.1 p -138.16 -171.58 3.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.835 -0.431 . . . . 2.84 109.835 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 8.2 p -62.04 -25.91 38.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.18 0.514 . . . . 2.73 110.0 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' B' ' 65' ' ' ASP . 16.2 mt-10 -68.15 -41.08 82.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.763 0.792 . . . . 4.0 109.829 176.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.45 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 0.9 OUTLIER -74.48 -18.32 60.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.376 -0.829 . . . . 3.62 109.261 177.608 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.521 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 32.7 t -84.57 -12.83 53.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.226 -0.897 . . . . 3.28 109.933 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' B' ' 67' ' ' ALA . 30.0 t70 -78.9 -29.11 44.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.952 -0.567 . . . . 3.46 110.136 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.6 pp -81.09 27.25 0.41 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.226 0.536 . . . . 2.39 110.754 173.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.615 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -52.45 138.04 28.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.248 -0.887 . . . . 1.89 112.744 -176.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.59 155.27 91.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.09 -0.959 . . . . 1.72 110.607 177.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -43.49 -49.13 7.93 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.903 3.069 . . . . 3.2 113.573 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -118.91 161.94 19.34 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.062 -0.348 . . . . 3.24 110.062 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 13.9 p -69.77 145.01 52.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.539 0.685 . . . . 1.98 110.352 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 3.8 mm? -81.52 -38.92 0.95 Allowed Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.41 -0.814 . . . . 2.33 112.696 -172.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.485 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 87.7 Cg_exo -54.44 -29.67 60.19 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.289 1.326 . . . . 1.23 112.203 169.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -68.81 -46.65 68.07 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.159 -0.682 . . . . 2.27 109.159 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.66 -39.34 54.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 2.04 110.325 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 1.2 t80 -66.58 -20.16 65.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.538 -0.756 . . . . 3.08 111.295 -177.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 42.8 mt-10 -77.71 -36.83 50.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.042 0.448 . . . . 2.51 110.189 176.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.37 -59.09 2.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.702 -0.681 . . . . 1.24 112.266 -176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.89 87.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.193 0.442 . . . . 1.47 112.193 -172.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.3 -21.4 63.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.304 -0.407 . . . . 1.7 111.643 -176.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 23.3 p -99.38 6.16 46.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.179 0.514 . . . . 2.49 110.765 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.84 80.11 1.49 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.787 -0.721 . . . . 2.63 112.007 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.473 -0.775 . . . . 4.9 109.929 179.006 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 121.08 0.466 . . . . 2.4 110.575 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.497 ' OD1' ' HB1' ' B' ' 80' ' ' ALA . 7.6 t30 -68.26 -32.56 72.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.738 -0.665 . . . . 2.52 109.694 177.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -54.9 -54.27 44.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.727 -0.67 . . . . 2.39 111.638 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -69.91 -36.76 75.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.524 -0.307 . . . . 1.98 111.735 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.32 -30.94 63.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.158 0.504 . . . . 3.0 110.506 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' B' ' 76' ' ' PHE . 33.9 tp -61.93 -45.46 93.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.417 -0.81 . . . . 1.28 110.374 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.574 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -59.39 -63.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.325 -0.852 . . . . 1.42 112.617 -175.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 1.653 ' HD1' ' CD2' ' A' ' 23' ' ' TYR . 4.0 p90 -61.13 -35.28 76.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.997 0.427 . . . . 3.42 110.692 -172.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.62 94.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 1.62 110.818 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.8 mt -68.68 -39.49 80.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 1.54 110.09 175.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.7 mt -56.79 -53.2 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 1.37 111.473 177.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -62.86 -36.23 82.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 1.68 111.211 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.635 ' HE2' ' CE1' ' A' ' 28' ' ' PHE . 64.4 t80 -67.32 -44.46 79.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.179 -0.464 . . . . 2.76 109.9 176.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 7.9 mp -67.03 -28.42 68.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 1.28 111.068 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -67.88 -46.12 72.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.973 0.416 . . . . 1.62 110.037 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -66.63 -40.94 88.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.51 0.671 . . . . 1.98 109.852 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.412 HE21 ' HA ' ' A' ' 29' ' ' LEU . 8.6 tt0 -60.0 -37.06 78.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.853 -1.067 . . . . 1.92 110.468 177.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.494 HD21 ' HB2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -67.96 -46.89 70.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.812 . . . . 1.76 109.601 178.271 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -64.65 -35.15 80.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.518 -0.765 . . . . 4.02 110.927 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -81.36 -18.61 45.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.32 -0.4 . . . . 3.46 111.203 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.44 41.71 24.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.076 -0.583 . . . . 0.58 111.802 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.19 -37.8 95.04 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.317 -0.468 . . . . 0.52 113.558 -174.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 4.4 mm? -100.83 176.6 5.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.817 0.341 . . . . 1.21 111.686 -177.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -72.34 -171.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.656 -0.702 . . . . 1.7 111.14 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 40.5 t -62.94 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.848 0.314 . . . . 1.97 111.848 -174.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -66.38 -30.2 70.53 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.384 0.611 . . . . 2.2 110.071 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.434 ' CB ' ' HB3' ' A' ' 38' ' ' LEU . . . -62.64 -43.33 99.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.012 -0.994 . . . . 1.13 110.934 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.472 ' O ' HD22 ' A' ' 33' ' ' LEU . 8.7 tt0 -62.8 -44.25 96.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 1.74 110.381 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 40' ' ' SER . 6.2 mm-40 -61.99 -37.15 83.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.978 -0.555 . . . . 2.36 110.152 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.3 m -68.81 -26.51 65.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.545 -0.752 . . . . 1.64 111.591 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.494 ' HB2' HD21 ' A' ' 33' ' ' LEU . 28.9 mt -64.1 -51.1 65.63 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 120.643 -0.423 . . . . 1.81 110.152 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -58.15 -45.51 87.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.203 -0.453 . . . . 1.76 110.919 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.407 ' HB ' ' SG ' ' B' ' 52' ' ' CYS . 68.0 t -60.4 -45.23 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 1.23 110.531 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.69 84.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 1.12 111.128 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 46' ' ' LEU . 63.6 mt -56.26 -55.73 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 1.35 110.589 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -65.57 -34.74 78.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.013 -0.54 . . . . 1.84 110.632 -177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.431 ' SG ' ' HB ' ' B' ' 48' ' ' VAL . 9.4 t -70.63 -48.2 56.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.888 -0.597 . . . . 1.01 110.925 -177.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.4 mt -70.87 -32.22 69.15 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.554 0.216 . . . . 1.37 111.094 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.96 -47.24 81.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.328 -0.619 . . . . 1.65 109.328 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -69.99 -35.24 74.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.373 -0.831 . . . . 1.75 110.816 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' B' ' 42' ' ' ALA . . . -62.77 -52.65 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.038 -0.528 . . . . 1.47 112.085 -177.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 1.602 ' HE2' ' CE1' ' A' ' 57' ' ' PHE . 86.2 m-85 -82.67 -5.97 59.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.998 0.427 . . . . 2.33 111.122 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.57 26.13 74.6 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.882 -0.599 . . . . 2.72 112.011 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.3 m -95.19 162.16 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.996 0.427 . . . . 1.67 110.773 -177.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.1 p -139.42 -171.89 3.23 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.67 -0.695 . . . . 2.84 109.969 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -69.3 -20.78 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.058 0.456 . . . . 2.74 110.032 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.97 -37.3 87.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.461 0.648 . . . . 4.01 109.892 175.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.82 -16.65 62.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.448 -0.796 . . . . 3.62 109.785 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.559 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 30.6 t -89.3 -13.62 37.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.771 -0.649 . . . . 3.27 110.04 175.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 67' ' ' ALA . 21.1 t70 -75.01 -34.85 61.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.091 0.472 . . . . 3.46 109.887 177.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -80.13 28.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 2.39 110.524 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.459 ' H ' ' C ' ' A' ' 65' ' ' ASP . . . -50.05 134.54 21.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.26 -0.882 . . . . 1.89 112.749 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.428 ' HG ' ' HH ' ' A' ' 23' ' ' TYR . 87.9 mt -71.43 160.47 82.47 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 114.793 -1.094 . . . . 1.72 110.014 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -42.54 -41.78 8.05 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.168 2.579 . . . . 3.19 113.462 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -134.51 160.99 36.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.504 -0.316 . . . . 3.24 110.204 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -68.33 141.51 55.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.36 0.6 . . . . 1.99 110.413 176.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.623 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 66.2 mt -72.95 -42.44 7.41 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.218 -0.901 . . . . 2.33 113.391 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.507 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 71.7 Cg_exo -53.1 -31.76 55.94 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.46 1.44 . . . . 1.23 112.07 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -62.8 -50.23 71.82 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.024 -0.535 . . . . 2.28 109.646 175.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.3 mt -53.27 -44.98 55.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 115.327 -0.851 . . . . 2.04 110.327 173.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.625 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 0.0 OUTLIER -67.26 -35.4 79.45 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.571 -0.741 . . . . 3.08 111.31 -174.373 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 34.0 mt-10 -63.61 -25.69 68.34 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.515 -0.474 . . . . 2.52 110.451 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.452 ' O ' ' HA3' ' A' ' 82' ' ' GLY . . . -87.65 -27.11 22.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.38 -0.373 . . . . 1.24 111.417 176.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.19 -61.15 1.63 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.925 0.393 . . . . 1.47 111.798 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.526 ' HB1' ' OD1' ' B' ' 17' ' ' ASN . . . -59.42 -63.36 1.33 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.549 -0.75 . . . . 1.7 112.081 -171.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 t -89.25 -1.1 57.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.007 0.432 . . . . 2.49 110.541 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 78' ' ' ALA . . . -76.91 -31.37 53.65 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.75 -0.738 . . . . 2.64 111.676 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.417 -0.801 . . . . 4.9 109.862 178.161 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 71.3 mtm . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.108 0.48 . . . . 4.05 110.558 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -78.08 101.66 7.08 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.734 -0.666 . . . . 2.42 110.494 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.526 ' OD1' ' HB1' ' A' ' 80' ' ' ALA . 7.5 t30 -68.42 -32.55 72.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.702 -0.681 . . . . 2.52 109.66 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -55.14 -54.18 46.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.772 -0.649 . . . . 2.39 111.521 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -69.98 -36.69 75.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.62 -0.264 . . . . 1.97 111.639 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -73.35 -30.94 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.142 0.496 . . . . 3.01 110.481 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 76' ' ' PHE . 34.2 tp -61.82 -45.58 93.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.47 -0.786 . . . . 1.27 110.435 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.581 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -59.32 -63.57 1.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.267 -0.879 . . . . 1.42 112.554 -175.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 1.655 ' HE1' ' CE2' ' B' ' 23' ' ' TYR . 4.1 p90 -61.05 -35.36 76.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.015 0.436 . . . . 3.41 110.685 -172.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.61 94.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.718 -0.673 . . . . 1.62 110.784 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.4 ' O ' HD11 ' B' ' 29' ' ' LEU . 29.2 mt -68.61 -39.56 80.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.128 -0.487 . . . . 1.54 110.094 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 67.3 mt -56.9 -53.13 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.366 -0.379 . . . . 1.37 111.478 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -62.83 -36.27 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 1.67 111.219 -178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . 1.649 ' HD2' ' CD1' ' B' ' 28' ' ' PHE . 64.5 t80 -67.31 -44.46 79.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.18 -0.463 . . . . 2.76 109.911 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 8.0 mp -67.06 -28.21 68.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 1.28 111.141 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -68.12 -45.94 72.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.014 0.435 . . . . 1.63 110.025 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -66.68 -40.99 88.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.518 0.675 . . . . 1.98 109.794 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.413 HE21 ' HA ' ' B' ' 29' ' ' LEU . 8.6 tt0 -60.07 -36.9 78.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.899 -1.046 . . . . 1.93 110.465 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -68.02 -46.84 70.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.468 -0.787 . . . . 1.76 109.612 178.327 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -64.68 -35.36 80.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.493 -0.776 . . . . 4.03 110.798 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -81.24 -18.83 44.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.922 0.392 . . . . 3.47 111.127 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.61 41.8 23.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.055 -0.593 . . . . 0.58 111.929 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.28 -37.74 94.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.364 -0.446 . . . . 0.53 113.48 -174.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.438 ' HB3' ' CB ' ' B' ' 42' ' ' ALA . 4.4 mm? -101.16 176.46 5.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.951 0.405 . . . . 1.21 111.722 -177.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -72.16 -171.74 0.79 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.728 -0.669 . . . . 1.7 111.095 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' B' ' 44' ' ' GLU . 45.3 t -63.57 -65.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.955 0.354 . . . . 1.96 111.955 -174.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -67.34 -30.25 70.03 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.491 0.662 . . . . 2.21 109.984 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 56' ' ' ALA . . . -62.26 -43.52 98.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.908 -1.042 . . . . 1.13 110.931 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.457 ' O ' HD22 ' B' ' 33' ' ' LEU . 8.7 tt0 -62.69 -44.57 95.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 1.74 110.32 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' B' ' 40' ' ' SER . 6.2 mm-40 -61.86 -37.07 83.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.986 -0.552 . . . . 2.36 110.129 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.2 m -68.66 -26.83 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.519 -0.764 . . . . 1.64 111.557 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.488 ' HB2' HD21 ' B' ' 33' ' ' LEU . 28.9 mt -64.0 -51.01 66.26 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.652 -0.419 . . . . 1.81 110.163 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -58.26 -45.43 87.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.293 -0.412 . . . . 1.75 110.91 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.431 ' HB ' ' SG ' ' A' ' 52' ' ' CYS . 67.1 t -60.4 -45.29 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 1.23 110.576 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.75 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.004 -0.544 . . . . 1.13 111.127 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.443 HG13 ' O ' ' B' ' 46' ' ' LEU . 62.8 mt -56.26 -55.75 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 1.36 110.483 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -65.56 -34.67 78.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.127 0.489 . . . . 1.84 110.622 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.407 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 9.4 t -70.7 -48.21 55.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 1.01 110.885 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -70.9 -32.2 69.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.51 0.195 . . . . 1.37 111.104 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.11 -47.01 82.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.231 -0.655 . . . . 1.66 109.231 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 29.3 m -70.11 -35.34 74.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.35 -0.841 . . . . 1.75 110.809 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.8 61.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.47 111.985 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 1.661 ' HE2' ' CE1' ' B' ' 57' ' ' PHE . 86.5 m-85 -82.58 -6.0 59.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.839 0.352 . . . . 2.32 111.191 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.8 25.81 75.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.171 -0.538 . . . . 2.73 112.024 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -95.11 162.14 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.984 0.421 . . . . 1.67 110.865 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 22.5 p -139.49 -171.93 3.25 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.698 -0.683 . . . . 2.84 109.937 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.44 -20.82 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.052 0.453 . . . . 2.73 109.926 175.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.8 -37.28 87.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.454 0.645 . . . . 4.0 109.945 174.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.02 -16.95 62.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 3.62 109.801 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.564 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 29.6 t -88.6 -13.98 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.79 -0.641 . . . . 3.28 110.135 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' B' ' 67' ' ' ALA . 21.3 t70 -74.98 -34.45 62.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.126 0.489 . . . . 3.46 110.012 177.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.99 27.11 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.63 -0.714 . . . . 2.39 110.68 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' B' ' 65' ' ' ASP . . . -49.21 134.48 17.99 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.162 -0.926 . . . . 1.89 112.72 -175.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.447 ' HG ' ' HH ' ' B' ' 23' ' ' TYR . 88.8 mt -71.45 160.49 82.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 114.785 -1.098 . . . . 1.72 109.928 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -42.68 -41.61 8.34 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.173 2.582 . . . . 3.2 113.556 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -134.44 161.56 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.106 -0.331 . . . . 3.24 110.106 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.3 p -69.24 144.33 53.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.345 0.593 . . . . 1.98 110.064 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.625 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 64.7 mt -75.11 -42.23 4.25 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.238 -0.892 . . . . 2.33 113.164 -171.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.494 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 72.0 Cg_exo -53.21 -31.76 57.06 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 121.455 1.437 . . . . 1.23 112.106 173.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -62.77 -50.19 72.01 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.253 0.549 . . . . 2.27 109.689 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 56.3 mt -53.25 -44.85 54.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 115.323 -0.853 . . . . 2.04 110.519 172.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.623 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.39 -35.44 79.31 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.532 -0.758 . . . . 3.08 111.292 -174.448 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 33.7 mt-10 -63.7 -25.79 68.36 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.471 -0.492 . . . . 2.51 110.509 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.463 ' O ' ' HA3' ' B' ' 82' ' ' GLY . . . -87.19 -28.12 22.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.343 -0.39 . . . . 1.24 111.418 176.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.89 -61.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.062 0.458 . . . . 1.47 112.131 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.497 ' HB1' ' OD1' ' A' ' 17' ' ' ASN . . . -59.81 -63.03 1.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.465 -0.789 . . . . 1.7 112.133 -170.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 7.2 t -89.54 -0.99 57.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 2.49 110.431 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' B' ' 78' ' ' ALA . . . -76.73 -31.44 53.78 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.766 -0.73 . . . . 2.63 111.68 178.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.276 -0.868 . . . . 4.9 109.887 178.355 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 . . . . . 0 CA--C 1.516 -0.327 0 CA-C-O 120.855 0.359 . . . . 2.4 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -66.31 -21.68 66.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.85 -0.614 . . . . 2.52 110.177 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -58.2 -48.06 81.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.793 -0.64 . . . . 2.39 110.841 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -69.16 -41.35 77.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.299 0.571 . . . . 1.98 110.043 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.733 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 98.5 mtt180 -67.61 -31.32 71.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.317 -0.856 . . . . 3.0 110.83 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -67.92 -40.43 83.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.815 -0.63 . . . . 1.28 110.266 172.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.12 -34.62 72.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.019 -0.537 . . . . 1.42 111.114 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.733 ' CD2' ' HA ' ' A' ' 20' ' ' ARG . 6.4 m-85 -61.26 -46.57 89.82 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.396 -0.594 . . . . 3.42 109.396 176.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.02 -36.32 60.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.754 -0.657 . . . . 1.62 111.21 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.654 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 44.0 mt -84.04 -51.77 13.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.007 -0.997 . . . . 1.54 110.025 -174.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.414 HG21 HG21 ' A' ' 50' ' ' ILE . 74.6 mt -63.13 -54.14 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.101 -0.5 . . . . 1.37 111.066 179.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.561 ' HB2' ' O ' ' A' ' 23' ' ' TYR . 22.4 mm-40 -62.14 -56.87 14.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.039 0.755 . . . . 1.68 113.039 -173.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -76.45 -46.82 25.25 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.879 -0.328 . . . . 2.76 111.856 -170.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.654 ' HB2' ' O ' ' A' ' 25' ' ' ILE . 10.5 mp -57.87 -32.52 67.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.982 -0.287 . . . . 1.28 110.907 176.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -58.31 -58.1 9.98 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.105 0.478 . . . . 1.62 110.897 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.45 -26.32 64.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.881 -0.6 . . . . 1.98 110.704 -178.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -59.23 -40.2 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.879 -0.6 . . . . 1.92 110.137 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 60.8 mt -65.74 -40.1 91.78 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.851 -0.613 . . . . 1.76 109.992 176.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -67.04 -26.04 66.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.769 -0.65 . . . . 4.02 110.326 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -86.26 -11.54 52.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.09 0.471 . . . . 3.46 110.924 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.57 39.16 50.32 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.868 -0.606 . . . . 0.58 112.336 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.97 -52.44 44.96 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.067 -0.587 . . . . 0.52 112.978 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.31 176.56 6.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.624 0.25 . . . . 1.21 110.451 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -72.25 158.55 35.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.174 -0.676 . . . . 1.7 109.174 173.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -52.09 -49.55 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.694 0.257 . . . . 1.97 111.694 -173.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.69 -42.45 83.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.107 0.479 . . . . 2.2 110.975 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.3 -32.93 64.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.868 -0.605 . . . . 1.13 110.963 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.407 ' HA ' HD21 ' A' ' 33' ' ' LEU . 39.4 mt-30 -61.21 -66.28 0.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 1.74 111.451 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -51.08 -31.99 20.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.722 -0.672 . . . . 2.36 111.222 176.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -64.15 -40.24 95.72 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.368 -0.378 . . . . 1.64 110.932 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.524 ' HB2' HD23 ' A' ' 33' ' ' LEU . 23.0 mt -62.93 -41.51 99.5 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.661 0.267 . . . . 1.81 110.385 176.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.69 -40.88 93.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.079 -0.51 . . . . 1.76 110.847 -177.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.4 t -63.13 -43.64 99.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.194 0.521 . . . . 1.23 110.255 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.47 98.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.592 -0.731 . . . . 1.12 110.981 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 46' ' ' LEU . 70.7 mt -57.24 -46.6 84.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.645 . . . . 1.35 111.425 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -60.84 -39.57 89.56 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.278 0.561 . . . . 1.84 110.657 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 67.6 m -70.5 -40.64 73.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.663 -0.699 . . . . 1.01 110.741 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.44 -40.45 95.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.455 -0.339 . . . . 1.37 110.557 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.586 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 35.6 tt0 -58.24 -50.1 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 1.65 110.382 176.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -65.72 -30.66 71.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.635 -0.711 . . . . 1.75 111.065 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.71 -60.18 2.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.54 . . . . 1.47 111.876 -177.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -69.25 -17.84 63.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 2.33 111.232 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.73 15.31 81.44 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.944 -0.646 . . . . 2.72 111.912 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.586 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 30.0 m -97.97 142.42 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.026 0.441 . . . . 1.67 110.76 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.0 p -122.09 -170.55 2.08 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.697 -0.683 . . . . 2.84 110.421 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.89 -29.82 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.793 0.33 . . . . 2.74 110.579 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.51 -45.02 73.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.344 0.593 . . . . 4.01 110.496 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.671 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.8 m-20 -65.27 -42.43 93.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.788 -0.642 . . . . 3.62 109.341 176.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.6 m -69.3 -11.27 60.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.617 -0.719 . . . . 3.27 110.804 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.26 -36.33 40.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.266 -0.425 . . . . 3.46 110.656 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.8 pp -69.04 -47.11 66.2 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.964 -0.754 . . . . 2.39 108.964 175.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . . . 45.71 -164.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.947 1.091 . . . . 1.89 113.947 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.493 HD11 ' O ' ' B' ' 80' ' ' ALA . 94.0 mt -123.15 127.5 25.63 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 114.272 -1.331 . . . . 1.72 109.125 172.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -52.47 -42.22 62.67 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 124.279 3.319 . . . . 3.19 113.809 -173.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.555 ' CG ' HD12 ' A' ' 75' ' ' ILE . 5.1 pm0 -87.16 139.59 30.41 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.956 -0.757 . . . . 3.24 108.956 176.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.2 p -67.69 135.86 53.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.495 0.664 . . . . 1.99 110.823 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 68' ' ' LEU . 2.5 mm? -80.19 -48.02 1.32 Allowed Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.204 -0.907 . . . . 2.33 112.87 -170.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.02 -32.1 46.97 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.424 1.416 . . . . 1.23 111.925 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.98 -44.59 65.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.928 -0.578 . . . . 2.28 110.557 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.555 HD12 ' CG ' ' A' ' 70' ' ' GLN . 44.6 mt -61.18 -42.2 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-O 121.184 0.516 . . . . 2.04 109.7 173.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.479 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 14.5 m-30 -67.95 -17.28 64.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.542 -0.754 . . . . 3.08 110.154 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -74.76 -41.38 60.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 2.52 109.647 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.36 -61.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.829 -0.623 . . . . 1.24 112.095 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.72 -42.04 35.71 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.823 0.675 . . . . 1.47 112.823 -169.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.494 ' O ' HD11 ' B' ' 68' ' ' LEU . . . -61.62 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.753 0.279 . . . . 1.7 111.753 -173.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.1 t -89.04 15.74 8.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.211 0.529 . . . . 2.49 110.627 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.87 -163.06 9.62 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.711 -0.677 . . . . 2.64 111.489 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.576 -0.726 . . . . 4.9 109.958 -179.744 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.939 0.399 . . . . 4.05 110.306 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -118.97 126.04 50.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 2.42 110.944 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -66.34 -21.58 66.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.832 -0.622 . . . . 2.52 110.167 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -58.36 -48.07 81.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.789 -0.641 . . . . 2.39 110.792 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -69.14 -41.34 77.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.332 0.587 . . . . 1.97 110.072 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.745 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . 98.7 mtt180 -67.64 -31.33 71.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.311 -0.859 . . . . 3.01 110.771 -175.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 14.9 tp -67.73 -40.62 84.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.625 . . . . 1.27 110.221 172.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.58 72.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.016 -0.538 . . . . 1.42 111.051 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.745 ' CD2' ' HA ' ' B' ' 20' ' ' ARG . 6.5 m-85 -61.23 -46.67 89.43 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 109.369 -0.604 . . . . 3.41 109.369 176.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.04 -36.21 60.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.673 -0.694 . . . . 1.62 111.264 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.674 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 43.9 mt -84.1 -51.76 13.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.979 -1.01 . . . . 1.54 110.017 -174.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.413 HG21 HG21 ' B' ' 50' ' ' ILE . 74.6 mt -63.14 -54.16 36.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.106 -0.497 . . . . 1.37 111.059 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' B' ' 23' ' ' TYR . 22.2 mm-40 -62.1 -56.78 15.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.05 0.759 . . . . 1.67 113.05 -173.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.57 -46.9 24.35 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.823 -0.351 . . . . 2.76 111.711 -170.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.674 ' HB2' ' O ' ' B' ' 25' ' ' ILE . 10.5 mp -57.7 -32.65 67.59 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.044 -0.262 . . . . 1.28 110.868 176.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -58.21 -58.17 9.65 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.145 0.497 . . . . 1.63 110.877 174.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -26.25 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.887 -0.597 . . . . 1.98 110.743 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -59.27 -40.25 85.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.848 -0.615 . . . . 1.93 110.129 173.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' B' ' 29' ' ' LEU . 61.3 mt -65.72 -40.21 91.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 1.76 110.047 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -66.87 -26.13 66.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.614 -0.721 . . . . 4.03 110.324 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -86.23 -11.58 52.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 3.47 110.944 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.63 39.39 49.18 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.944 -0.571 . . . . 0.58 112.206 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.28 -52.24 45.69 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 121.152 -0.547 . . . . 0.53 113.049 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.34 176.75 6.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.818 -0.225 . . . . 1.21 110.498 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.0 t -72.51 158.53 35.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.141 -0.689 . . . . 1.7 109.141 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -52.16 -49.52 63.6 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.681 0.252 . . . . 1.96 111.681 -173.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.55 -42.51 83.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.156 0.503 . . . . 2.21 111.086 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.25 -33.16 65.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.803 -0.635 . . . . 1.13 110.924 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.407 ' HA ' HD21 ' B' ' 33' ' ' LEU . 39.5 mt-30 -61.15 -66.33 0.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.97 -0.559 . . . . 1.74 111.396 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -51.09 -31.79 20.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.697 -0.683 . . . . 2.36 111.321 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -64.22 -40.49 96.15 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.412 -0.358 . . . . 1.64 110.795 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.519 ' HB2' HD23 ' B' ' 33' ' ' LEU . 22.9 mt -62.71 -41.54 99.2 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.613 0.245 . . . . 1.81 110.458 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.68 -40.73 93.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.057 -0.52 . . . . 1.75 110.762 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.33 -43.56 98.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.122 0.487 . . . . 1.23 110.166 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.43 98.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.541 -0.754 . . . . 1.13 110.933 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.442 HG13 ' O ' ' B' ' 46' ' ' LEU . 70.3 mt -57.43 -46.44 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.879 -0.601 . . . . 1.36 111.43 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -61.01 -39.39 89.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.18 0.514 . . . . 1.84 110.59 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 67.9 m -70.67 -40.6 72.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.735 -0.666 . . . . 1.01 110.758 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.38 -40.35 95.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.528 -0.305 . . . . 1.37 110.598 178.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 35.0 tt0 -58.39 -50.11 74.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 1.66 110.325 176.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -65.4 -30.89 71.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.654 -0.703 . . . . 1.75 111.075 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.78 -59.91 2.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.961 -0.563 . . . . 1.47 111.868 -176.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -69.67 -17.63 63.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 2.32 111.187 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.82 15.34 81.36 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.865 -0.683 . . . . 2.73 111.879 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.6 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 30.1 m -98.09 142.51 14.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.103 0.478 . . . . 1.67 110.747 -178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.2 p -122.39 -171.35 2.25 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.636 -0.711 . . . . 2.84 110.37 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.14 -29.91 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.742 0.306 . . . . 2.73 110.622 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -68.47 -45.11 73.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.329 0.585 . . . . 4.0 110.518 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.677 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 6.9 m-20 -65.14 -42.52 93.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.755 -0.657 . . . . 3.62 109.487 176.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.412 ' O ' ' HB1' ' B' ' 67' ' ' ALA . 29.5 m -68.75 -12.33 61.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.535 -0.757 . . . . 3.28 110.861 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.56 -36.22 44.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 3.46 110.571 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.8 pp -70.27 -44.44 68.43 Favored 'General case' 0 C--O 1.231 0.085 0 C-N-CA 119.827 -0.749 . . . . 2.39 109.201 175.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.473 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . . . 43.91 -164.06 0.01 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 114.057 1.132 . . . . 1.89 114.057 171.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.494 HD11 ' O ' ' A' ' 80' ' ' ALA . 94.0 mt -123.11 127.53 25.63 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 114.064 -1.425 . . . . 1.72 109.085 172.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -52.63 -42.0 65.13 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 124.187 3.258 . . . . 3.2 113.99 -173.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . 0.552 ' CG ' HD12 ' B' ' 75' ' ' ILE . 5.1 pm0 -87.31 140.15 29.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.886 -0.783 . . . . 3.24 108.886 176.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 20.5 p -69.3 141.11 54.4 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.918 -0.713 . . . . 1.98 109.882 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.427 HD22 ' HB2' ' B' ' 68' ' ' LEU . 2.5 mm? -83.22 -48.42 0.77 Allowed Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.106 -0.952 . . . . 2.33 112.753 -170.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.92 -32.3 46.93 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.457 1.438 . . . . 1.23 111.715 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -70.92 -44.51 66.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.875 -0.602 . . . . 2.27 110.619 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.552 HD12 ' CG ' ' B' ' 70' ' ' GLN . 44.8 mt -61.16 -42.22 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-O 121.272 0.558 . . . . 2.04 109.695 173.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.49 ' O ' ' HB2' ' B' ' 80' ' ' ALA . 14.6 m-30 -67.83 -17.67 64.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.577 -0.738 . . . . 3.08 110.108 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -74.35 -42.43 59.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.635 -0.711 . . . . 2.51 109.49 175.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.03 -61.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.875 -0.602 . . . . 1.24 112.349 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.89 -41.95 34.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.842 0.682 . . . . 1.47 112.842 -169.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.493 ' O ' HD11 ' A' ' 68' ' ' LEU . . . -61.69 -46.18 90.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.719 0.266 . . . . 1.7 111.719 -173.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 t -89.03 16.01 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.24 0.543 . . . . 2.49 110.581 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -137.04 -163.02 9.58 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.475 -0.65 . . . . 2.63 111.475 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.646 -0.692 . . . . 4.9 110.045 -179.674 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 121.107 0.48 . . . . 2.4 110.031 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 2.8 p-10 -87.28 -15.36 38.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.07 0.396 . . . . 2.52 112.07 -175.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 12.3 mptt -77.88 -32.46 51.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.929 0.395 . . . . 2.39 110.644 -175.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HE3' ' O ' ' A' ' 58' ' ' GLY . 20.2 ptmt -70.41 -45.81 65.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.551 -0.295 . . . . 1.98 110.716 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' O ' ' HD1' ' A' ' 23' ' ' TYR . 27.1 mtm180 -67.3 -23.17 65.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.589 0.709 . . . . 3.0 109.442 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.546 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 5.5 tp -62.11 -60.98 2.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.941 -1.027 . . . . 1.28 110.344 171.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.494 ' HB1' HG12 ' A' ' 59' ' ' VAL . . . -69.54 -35.09 75.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.033 0.383 . . . . 1.42 112.033 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 1.653 ' HD1' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.82 -44.61 74.03 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.228 0.537 . . . . 3.42 110.261 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 72' ' ' LEU . . . -72.36 -36.03 68.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.75 -0.659 . . . . 1.62 110.891 -176.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.55 -42.77 93.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.719 -0.673 . . . . 1.54 110.427 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.613 HD12 ' CD1' ' A' ' 53' ' ' LEU . 74.3 mt -59.22 -40.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.049 -0.523 . . . . 1.37 111.009 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -60.39 -43.58 96.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.373 -0.376 . . . . 1.68 111.029 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -72.49 -46.14 56.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 2.76 111.132 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.69 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.8 mp -60.37 -45.59 92.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.555 -0.293 . . . . 1.28 110.687 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -56.46 -38.28 71.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 1.62 110.34 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.68 -48.42 59.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.721 -0.672 . . . . 1.98 110.745 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 2.5 pt20 -65.45 -33.45 75.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.92 110.5 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 45.4 mt -62.57 -47.34 84.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.718 0.294 . . . . 1.76 110.401 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.3 mmt-85 -68.79 -27.32 65.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.377 -0.374 . . . . 4.02 110.89 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -87.33 3.68 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.398 -0.365 . . . . 3.46 111.426 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.484 ' HA2' ' NE2' ' A' ' 43' ' ' GLN . . . 68.27 34.74 81.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.172 -0.537 . . . . 0.58 113.114 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.49 -53.43 35.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.046 -0.597 . . . . 0.52 111.975 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.74 151.94 20.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.579 -0.526 . . . . 1.21 109.579 176.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 t -65.51 157.38 29.78 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 123.348 0.405 . . . . 1.7 110.03 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 p -43.62 -49.13 7.72 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.92 1.082 . . . . 1.97 113.92 -170.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.67 -52.91 62.38 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.951 0.405 . . . . 2.2 110.925 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.86 79.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.779 -0.646 . . . . 1.13 110.793 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.484 ' NE2' ' HA2' ' A' ' 36' ' ' GLY . 14.9 tt0 -59.29 -58.45 8.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.177 -0.92 . . . . 1.74 110.562 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.572 ' O ' HG21 ' A' ' 48' ' ' VAL . 41.0 mt-10 -65.3 -33.91 77.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.979 -0.555 . . . . 2.36 110.659 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.9 t -64.68 -38.97 92.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.876 -0.602 . . . . 1.64 111.138 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.459 ' HB2' HD23 ' A' ' 33' ' ' LEU . 17.9 mt -61.6 -41.1 96.97 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.905 -0.318 . . . . 1.81 110.284 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 71.2 tt0 -67.41 -38.29 84.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 1.76 110.523 -178.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 44' ' ' GLU . 58.0 t -56.11 -51.31 63.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.337 0.589 . . . . 1.23 109.424 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.596 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -57.51 -49.01 77.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.952 -1.022 . . . . 1.12 110.975 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.7 mt -53.64 -49.79 54.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.338 -0.847 . . . . 1.35 111.495 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 30.1 mm-40 -58.55 -43.83 89.42 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.226 0.536 . . . . 1.84 110.651 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.6 m -65.34 -52.93 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.479 -0.782 . . . . 1.01 111.02 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.613 ' CD1' HD12 ' A' ' 26' ' ' ILE . 2.9 pp -78.96 -20.44 49.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.757 0.651 . . . . 1.37 112.757 -173.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.563 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 27.1 tt0 -67.83 -38.06 82.74 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.388 -0.597 . . . . 1.65 109.388 177.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -73.98 -26.36 60.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.285 -0.871 . . . . 1.75 110.904 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.05 -44.48 10.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.043 0.757 . . . . 1.47 113.043 -173.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.491 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -77.61 -17.52 57.71 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.354 -0.839 . . . . 2.33 112.585 -164.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.582 ' O ' ' HE3' ' A' ' 19' ' ' LYS . . . 77.87 54.44 4.52 Favored Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 109.794 -1.322 . . . . 2.72 109.794 -170.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.563 ' CG2' ' HA ' ' A' ' 54' ' ' GLU . 29.3 m -137.51 -144.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.348 -0.426 . . . . 1.67 112.141 -166.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.548 ' OG1' ' HA ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -41.54 -167.24 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 118.465 2.765 . . . . 2.84 118.465 -159.661 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.466 ' HA ' ' HB3' ' A' ' 64' ' ' SER . 7.9 p 9.61 -38.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 116.733 2.123 . . . . 2.74 116.733 -134.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.0 mm-40 -72.79 -59.33 2.76 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 122.674 1.226 . . . . 4.01 109.102 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.545 ' HB2' ' C ' ' A' ' 59' ' ' VAL . 6.3 m-20 -77.98 6.46 7.75 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.229 -0.896 . . . . 3.62 110.13 177.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.567 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 9.5 t -86.84 -22.87 25.54 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.622 -0.881 . . . . 3.27 108.622 167.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.87 -36.77 84.38 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.375 -0.602 . . . . 3.46 109.375 171.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.511 HD22 ' OD2' ' A' ' 63' ' ' ASP . 3.9 pp -85.46 30.72 0.61 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 120.346 -0.542 . . . . 2.39 111.627 174.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 64' ' ' SER . . . -48.23 153.43 0.71 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.315 1.228 . . . . 1.89 114.315 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.96 163.51 18.62 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 114.629 -1.169 . . . . 1.72 110.128 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -53.46 -51.77 10.15 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.938 2.425 . . . . 3.19 113.771 -176.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -120.14 168.45 11.2 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.187 -0.301 . . . . 3.24 110.187 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.7 p -77.93 139.97 39.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.295 0.569 . . . . 1.99 110.228 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.665 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 4.1 mm? -68.83 -44.75 31.45 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.394 -0.821 . . . . 2.33 111.43 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.607 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 68.0 Cg_exo -47.11 -34.61 17.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.167 1.911 . . . . 1.23 113.431 173.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.42 -48.05 74.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.086 0.47 . . . . 2.28 109.944 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.436 HD13 HD11 ' A' ' 72' ' ' LEU . 81.2 mt -58.27 -38.25 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.464 0.649 . . . . 2.04 109.768 174.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 1.604 ' HE2' ' CE1' ' A' ' 76' ' ' PHE . 14.6 m-30 -69.33 -27.53 65.45 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.41 -0.813 . . . . 3.08 110.58 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 50.8 mt-10 -65.6 -26.56 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 2.52 110.04 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.85 -48.39 8.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.961 -0.563 . . . . 1.24 111.226 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.23 39.66 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.659 0.614 . . . . 1.47 112.659 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.0 -11.25 60.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.928 0.344 . . . . 1.7 111.928 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.443 ' HA ' ' SD ' ' B' ' 15' ' ' MET . 18.5 p -90.8 -12.72 35.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.195 0.521 . . . . 2.49 110.363 174.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.71 154.74 21.04 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.854 -0.612 . . . . 2.64 111.694 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.229 -0.891 . . . . 4.9 110.202 -178.321 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' MET . . . . . 0.443 ' SD ' ' HA ' ' A' ' 81' ' ' THR . 51.7 ttm . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.708 0.29 . . . . 4.05 110.446 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -78.53 84.79 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.152 0.501 . . . . 2.42 110.147 177.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 2.9 p-10 -86.01 -15.95 39.8 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.262 0.467 . . . . 2.52 112.262 -175.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 12.3 mptt -77.69 -32.59 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 2.39 110.684 -175.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.617 ' HE3' ' O ' ' B' ' 58' ' ' GLY . 20.3 ptmt -70.18 -45.82 65.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.494 -0.321 . . . . 1.97 110.8 177.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.413 ' O ' ' HD1' ' B' ' 23' ' ' TYR . 27.1 mtm180 -67.4 -23.17 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.516 0.675 . . . . 3.01 109.415 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.535 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 5.5 tp -62.05 -60.96 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.912 -1.04 . . . . 1.27 110.487 171.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.514 ' HB1' HG12 ' B' ' 59' ' ' VAL . . . -69.62 -34.95 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.403 . . . . 1.42 112.008 -175.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 1.597 ' HD1' ' CD2' ' B' ' 23' ' ' TYR . 0.0 OUTLIER -54.88 -44.61 74.23 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.169 0.509 . . . . 3.41 110.272 179.391 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.409 ' HB1' ' HB2' ' B' ' 72' ' ' LEU . . . -72.29 -36.21 68.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.749 -0.66 . . . . 1.62 110.914 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.58 -42.75 93.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.695 -0.684 . . . . 1.54 110.363 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.624 HD12 ' CD1' ' B' ' 53' ' ' LEU . 74.8 mt -59.15 -40.84 81.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.116 -0.493 . . . . 1.37 110.983 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -60.43 -43.38 96.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 1.67 111.098 177.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -72.53 -46.14 55.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.253 -0.43 . . . . 2.76 111.158 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 8.8 mp -60.42 -45.55 93.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.578 -0.283 . . . . 1.28 110.636 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -56.51 -38.27 71.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.984 0.421 . . . . 1.63 110.293 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.77 -48.4 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 1.98 110.713 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' B' ' 29' ' ' LEU . 2.6 pt20 -65.57 -33.23 75.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 1.93 110.484 -178.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' B' ' 29' ' ' LEU . 44.8 mt -62.82 -47.11 84.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.514 -0.312 . . . . 1.76 110.369 178.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -68.76 -27.41 65.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 4.03 110.864 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -87.38 3.52 46.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 3.47 111.373 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . 0.48 ' HA2' ' NE2' ' B' ' 43' ' ' GLN . . . 68.54 34.66 79.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.232 -0.509 . . . . 0.58 113.065 176.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.6 -53.42 35.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.07 -0.586 . . . . 0.53 111.941 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.82 151.84 20.4 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.497 -0.557 . . . . 1.21 109.497 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.7 t -65.51 157.37 29.79 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.414 0.446 . . . . 1.7 109.892 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 6.2 p -43.5 -49.23 7.38 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.925 1.083 . . . . 1.96 113.925 -170.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -61.63 -53.02 61.82 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.026 0.441 . . . . 2.21 110.929 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.75 78.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.715 -0.675 . . . . 1.13 110.775 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.48 ' NE2' ' HA2' ' B' ' 36' ' ' GLY . 15.0 tt0 -59.54 -58.12 9.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.156 -0.929 . . . . 1.74 110.64 -177.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.569 ' O ' HG21 ' B' ' 48' ' ' VAL . 41.0 mt-10 -65.51 -34.03 77.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.992 -0.549 . . . . 2.36 110.586 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 11.1 t -64.62 -38.81 92.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.891 -0.595 . . . . 1.64 111.164 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.469 ' HB2' HD23 ' B' ' 33' ' ' LEU . 17.9 mt -61.75 -41.07 97.19 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.874 -0.33 . . . . 1.81 110.261 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 70.8 tt0 -67.38 -38.34 84.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.259 -0.428 . . . . 1.75 110.564 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.569 HG21 ' O ' ' B' ' 44' ' ' GLU . 58.7 t -55.99 -51.34 62.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.415 -0.587 . . . . 1.23 109.415 173.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -57.51 -49.2 77.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.99 -1.005 . . . . 1.13 110.955 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 45.2 mt -53.39 -49.91 51.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.333 -0.849 . . . . 1.36 111.514 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 30.5 mm-40 -58.5 -43.89 89.22 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.15 0.5 . . . . 1.84 110.647 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 58.5 m -65.19 -52.99 51.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.518 -0.765 . . . . 1.01 111.117 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.624 ' CD1' HD12 ' B' ' 26' ' ' ILE . 2.9 pp -78.88 -20.55 49.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 112.732 0.641 . . . . 1.37 112.732 -173.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . 0.585 ' HA ' ' CG2' ' B' ' 59' ' ' VAL . 27.3 tt0 -67.85 -37.85 82.38 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.399 -0.593 . . . . 1.66 109.399 177.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -74.34 -26.03 59.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.323 -0.853 . . . . 1.75 110.894 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.16 -44.64 10.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.935 0.717 . . . . 1.47 112.935 -174.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' B' ' 53' ' ' LEU . 0.2 OUTLIER -77.63 -18.1 57.1 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.344 -0.844 . . . . 2.32 112.732 -164.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . 0.617 ' O ' ' HE3' ' B' ' 19' ' ' LYS . . . 77.74 56.04 3.98 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 110.266 -1.133 . . . . 2.73 110.266 -171.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.585 ' CG2' ' HA ' ' B' ' 54' ' ' GLU . 35.6 m -139.51 -150.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 C-N-CA 124.855 1.262 . . . . 1.67 110.613 -161.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' THR . . . . . 0.58 ' OG1' ' HA ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -50.59 -160.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 128.641 2.777 . . . . 2.84 114.775 -153.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.534 ' HA ' ' HB3' ' B' ' 64' ' ' SER . 14.5 p -18.34 -17.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 118.165 2.654 . . . . 2.73 118.165 -114.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -75.77 -58.57 3.2 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 120.577 1.535 . . . . 4.0 109.377 167.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.526 ' HB2' ' C ' ' B' ' 59' ' ' VAL . 6.4 m-20 -77.22 4.47 10.44 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.289 -0.868 . . . . 3.62 110.139 177.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.563 ' O ' ' HB1' ' B' ' 67' ' ' ALA . 9.2 t -85.53 -23.29 27.77 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.748 -0.834 . . . . 3.28 108.748 168.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.23 -36.89 83.36 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.574 -0.528 . . . . 3.46 109.574 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.513 HD22 ' OD2' ' B' ' 63' ' ' ASP . 3.9 pp -84.46 28.13 0.67 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 120.644 -0.422 . . . . 2.39 112.052 174.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.563 ' HB1' ' O ' ' B' ' 64' ' ' SER . . . -46.23 153.05 0.36 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.581 1.326 . . . . 1.89 114.581 -175.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 82.1 mt -98.97 163.4 18.82 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 114.554 -1.203 . . . . 1.72 110.194 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -54.02 -50.28 14.19 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.746 2.298 . . . . 3.2 113.997 -175.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -121.14 168.06 11.98 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 110.093 -0.336 . . . . 3.24 110.093 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 36.6 p -77.62 143.53 38.17 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.323 0.582 . . . . 1.98 109.853 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.663 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 4.1 mm? -71.72 -44.52 12.15 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.377 -0.829 . . . . 2.33 111.15 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.589 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 67.4 Cg_exo -46.89 -34.87 17.06 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.298 1.999 . . . . 1.23 113.333 173.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.41 -47.85 74.86 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.134 0.492 . . . . 2.27 110.082 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.438 HD13 HD11 ' B' ' 72' ' ' LEU . 81.2 mt -58.42 -38.27 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.505 0.669 . . . . 2.04 109.694 174.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 1.663 ' HE1' ' CE2' ' B' ' 76' ' ' PHE . 14.5 m-30 -69.35 -27.38 65.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.372 -0.831 . . . . 3.08 110.602 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 50.5 mt-10 -65.74 -26.5 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 2.51 110.011 176.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.72 -48.74 8.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.91 -0.586 . . . . 1.24 111.215 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.39 -46.49 39.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.633 0.605 . . . . 1.47 112.633 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.23 -12.33 60.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.978 0.362 . . . . 1.7 111.978 -172.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 19.2 p -90.07 -12.57 38.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.12 0.486 . . . . 2.49 110.491 174.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.68 155.08 21.14 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.869 -0.605 . . . . 2.63 111.644 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 tttm . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.389 -0.815 . . . . 4.9 110.069 -178.506 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t70 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.845 0.355 . . . . 2.4 110.489 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -82.14 -25.44 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.989 -0.551 . . . . 2.52 111.068 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -67.93 -47.35 68.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.433 -0.348 . . . . 2.39 111.398 -173.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -42.1 87.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.334 -0.394 . . . . 1.98 110.933 177.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' HA ' ' OD1' ' A' ' 63' ' ' ASP . 65.7 mtp180 -73.58 -42.56 61.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.073 0.463 . . . . 3.0 111.118 -176.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.604 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -56.89 -49.72 74.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.61 0.719 . . . . 1.28 110.0 176.337 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.604 ' N ' ' HG ' ' A' ' 21' ' ' LEU . . . -77.91 -14.06 59.68 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.344 -0.843 . . . . 1.42 110.867 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 1.65 ' HE1' ' CE2' ' A' ' 23' ' ' TYR . 9.0 t80 -61.0 -43.87 98.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.329 0.585 . . . . 3.42 109.8 170.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.9 67.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.189 0.519 . . . . 1.62 109.932 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.457 ' HB ' ' O ' ' A' ' 22' ' ' ALA . 49.4 mt -63.4 -34.35 66.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.483 -0.781 . . . . 1.54 110.117 172.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.782 HD12 ' C ' ' A' ' 58' ' ' GLY . 77.5 mt -55.71 -53.8 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.402 -0.363 . . . . 1.37 110.72 175.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -53.17 -46.57 68.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.66 -0.7 . . . . 1.68 111.654 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.408 ' CE2' ' HE2' ' B' ' 18' ' ' LYS . 54.7 t80 -73.87 -50.2 21.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.417 -0.356 . . . . 2.76 111.168 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.516 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.0 mp -65.3 -29.93 70.74 Favored 'General case' 0 C--O 1.222 -0.345 0 N-CA-C 111.719 0.266 . . . . 1.28 111.719 -176.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.83 -45.79 77.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.409 . . . . 1.62 110.107 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.31 -44.59 75.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.419 0.628 . . . . 1.98 110.176 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -57.01 -46.48 82.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.782 -1.099 . . . . 1.92 111.473 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -64.25 -42.16 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 1.76 110.244 -177.475 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.02 -28.33 68.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 4.02 111.007 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -86.85 -11.36 51.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.169 -0.468 . . . . 3.46 110.769 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.63 41.74 34.53 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.888 -0.673 . . . . 0.58 111.947 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.94 -44.26 97.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.185 -0.531 . . . . 0.52 113.187 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.496 ' HG ' ' HB2' ' B' ' 56' ' ' ALA . 4.2 mm? -93.55 -174.42 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.004 0.43 . . . . 1.21 111.785 -178.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 m -69.15 167.2 16.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.586 -0.733 . . . . 1.7 111.151 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 p -59.28 -55.79 30.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.599 0.592 . . . . 1.97 112.599 -172.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.35 -43.29 95.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.935 0.398 . . . . 2.2 110.612 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.605 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -59.49 -39.6 84.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.691 -0.686 . . . . 1.13 110.841 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.427 ' O ' HD22 ' A' ' 33' ' ' LEU . 8.7 tt0 -55.71 -56.63 18.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 1.74 111.17 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.97 -33.15 73.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.425 0.631 . . . . 2.36 110.206 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.462 ' HB3' ' SG ' ' B' ' 52' ' ' CYS . 44.1 m -72.55 -40.97 66.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.29 -0.868 . . . . 1.64 111.602 -177.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 23.4 mt -58.88 -33.4 70.46 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 121.03 -0.268 . . . . 1.81 110.352 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.35 -51.8 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.849 -0.426 . . . . 1.76 109.849 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.2 t -56.63 -42.34 76.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.996 -0.547 . . . . 1.23 110.138 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.701 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -58.06 -42.9 86.46 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.475 -0.784 . . . . 1.12 110.439 176.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 46' ' ' LEU . 73.6 mt -61.46 -34.31 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 1.35 111.424 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 1.8 mp0 -63.54 -46.02 87.92 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.872 0.844 . . . . 1.84 109.876 174.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' B' ' 45' ' ' SER . 31.1 m -60.34 -42.75 96.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.903 -1.044 . . . . 1.01 109.988 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 57.5 mt -64.64 -39.11 93.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.064 -0.971 . . . . 1.37 110.049 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 51' ' ' GLN . 43.5 tt0 -50.33 -27.98 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.151 0.58 . . . . 1.65 111.634 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 m -83.36 -51.08 7.71 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.325 -0.55 . . . . 1.75 112.126 172.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.467 ' HB2' ' HG ' ' B' ' 38' ' ' LEU . . . -104.05 -43.71 5.2 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.957 1.836 . . . . 1.47 115.957 -169.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 1.666 ' HE2' ' CE1' ' A' ' 57' ' ' PHE . 19.4 t80 -153.02 66.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.923 0.392 . . . . 2.33 111.569 -150.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.782 ' C ' HD12 ' A' ' 26' ' ' ILE . . . 112.92 47.92 0.64 Allowed Glycine 0 C--N 1.292 -1.87 0 N-CA-C 105.95 -2.86 . . . . 2.72 105.95 -158.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.493 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -74.16 -167.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-N 108.495 -3.853 . . . . 1.67 114.709 -168.25 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 p -71.86 179.03 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 2.84 111.462 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.5 p -75.47 -5.81 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.44 0.638 . . . . 2.74 110.846 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.47 -37.3 85.41 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.622 0.725 . . . . 4.01 109.262 173.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.465 ' OD1' ' HA ' ' A' ' 20' ' ' ARG . 8.2 t70 -66.2 -27.5 68.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.092 -0.958 . . . . 3.62 109.758 177.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.0 t -64.6 -27.87 69.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 3.27 109.966 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -67.04 -42.15 85.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.418 . . . . 3.46 110.135 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.02 33.48 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.403 -0.362 . . . . 2.39 110.903 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.28 159.23 3.65 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.138 0.792 . . . . 1.89 113.138 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.8 mt -81.3 149.16 65.03 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.268 -0.878 . . . . 1.72 110.666 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.77 -23.64 76.95 Favored 'Trans proline' 0 N--CA 1.476 0.456 0 C-N-CA 124.175 3.25 . . . . 3.19 114.044 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.495 ' NE2' HD13 ' A' ' 75' ' ' ILE . 3.2 pt20 -128.93 156.05 44.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.993 -0.373 . . . . 3.24 109.993 -173.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 p -79.21 134.69 36.67 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.773 -0.825 . . . . 1.99 108.773 170.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.618 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 4.4 mm? -80.61 -44.16 1.31 Allowed Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 115.796 -0.638 . . . . 2.33 112.549 -173.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.555 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 75.6 Cg_exo -47.87 -35.0 23.45 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.897 1.732 . . . . 1.23 113.292 173.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.28 -41.82 80.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 2.28 110.203 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.495 HD13 ' NE2' ' A' ' 70' ' ' GLN . 27.3 mm -61.52 -40.04 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.714 -0.675 . . . . 2.04 110.531 175.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 1.625 ' HD1' ' CD2' ' A' ' 76' ' ' PHE . 13.0 m-30 -61.72 -33.64 74.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.612 -0.722 . . . . 3.08 110.477 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -71.36 -31.44 67.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.152 -0.477 . . . . 2.52 111.157 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.85 -64.04 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.202 0.445 . . . . 1.24 112.202 -175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.35 93.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.876 0.369 . . . . 1.47 111.933 -171.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.452 ' HA ' ' OE1' ' B' ' 70' ' ' GLN . . . -72.93 -13.52 61.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 1.7 112.15 -173.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.1 t -107.49 -4.7 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.829 -0.348 . . . . 2.49 110.789 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.78 120.45 0.81 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.878 -0.677 . . . . 2.64 112.041 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.671 -0.681 . . . . 4.9 110.473 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.933 0.397 . . . . 4.05 110.424 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -86.71 133.92 33.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 2.42 110.57 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 64.4 t30 -82.11 -25.57 34.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.013 -0.54 . . . . 2.52 111.104 -177.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.408 ' HE2' ' CE2' ' A' ' 28' ' ' PHE . 45.6 mmtm -67.85 -47.45 68.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.519 -0.309 . . . . 2.39 111.303 -172.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -42.23 87.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.32 -0.4 . . . . 1.97 110.937 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 65.4 mtp180 -73.33 -42.86 61.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.17 0.51 . . . . 3.01 111.201 -176.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.626 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 0.1 OUTLIER -56.67 -49.79 74.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.722 0.772 . . . . 1.27 110.068 176.403 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.626 ' N ' ' HG ' ' B' ' 21' ' ' LEU . . . -77.71 -14.99 59.45 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.223 -0.899 . . . . 1.42 110.807 -175.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 1.642 ' HD1' ' CD2' ' B' ' 23' ' ' TYR . 9.1 t80 -60.18 -43.93 95.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.277 0.561 . . . . 3.41 109.856 170.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.99 67.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.295 0.569 . . . . 1.62 109.937 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.467 ' HB ' ' O ' ' B' ' 22' ' ' ALA . 48.8 mt -63.5 -34.37 67.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.308 -0.86 . . . . 1.54 110.08 172.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.684 HD12 ' C ' ' B' ' 58' ' ' GLY . 77.4 mt -55.67 -53.72 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.366 -0.379 . . . . 1.37 110.716 175.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -53.2 -46.6 69.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.812 -0.631 . . . . 1.67 111.672 -175.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -73.9 -50.12 21.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.376 . . . . 2.76 111.228 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.525 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.0 mp -65.26 -29.91 70.73 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 111.827 0.306 . . . . 1.28 111.827 -176.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -66.81 -45.87 76.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.982 0.42 . . . . 1.63 110.124 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -68.33 -44.59 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 1.98 110.064 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -56.94 -46.65 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.902 -1.045 . . . . 1.93 111.431 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.5 OUTLIER -64.18 -42.26 96.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.865 -0.607 . . . . 1.76 110.224 -177.379 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.0 -28.27 68.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 4.03 110.935 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -86.74 -11.59 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.149 0.499 . . . . 3.47 110.83 -178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.64 42.02 33.6 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.952 -0.642 . . . . 0.58 111.949 -177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.96 -44.39 97.22 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.231 -0.509 . . . . 0.53 113.095 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.467 ' HG ' ' HB2' ' A' ' 56' ' ' ALA . 4.2 mm? -93.3 -174.09 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.124 0.488 . . . . 1.21 111.777 -178.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m -69.58 167.19 17.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.501 -0.772 . . . . 1.7 111.158 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.3 p -59.53 -55.43 34.62 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.635 0.606 . . . . 1.96 112.635 -172.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.71 -43.28 93.98 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.886 0.374 . . . . 2.21 110.487 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.587 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -59.41 -39.64 84.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.81 -0.632 . . . . 1.13 110.828 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.431 ' O ' HD22 ' B' ' 33' ' ' LEU . 8.8 tt0 -55.61 -56.63 18.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 1.74 111.147 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -62.25 -32.83 73.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.499 0.666 . . . . 2.36 110.247 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' SER . . . . . 0.459 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 45.8 m -72.66 -41.08 65.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.227 -0.897 . . . . 1.64 111.525 -177.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 23.1 mt -58.83 -33.37 70.32 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 121.003 -0.279 . . . . 1.81 110.335 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.42 -51.76 68.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.769 -0.456 . . . . 1.75 109.769 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.6 t -56.65 -42.45 76.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.954 -0.566 . . . . 1.23 110.114 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.712 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -57.96 -42.81 85.74 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.504 -0.771 . . . . 1.13 110.495 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 46' ' ' LEU . 73.7 mt -61.57 -34.13 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 1.36 111.469 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' B' ' 54' ' ' GLU . 1.8 mp0 -63.71 -46.05 87.19 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.866 0.841 . . . . 1.84 109.913 174.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 45' ' ' SER . 30.5 m -60.13 -42.92 95.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.934 -1.03 . . . . 1.01 109.984 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 57.8 mt -64.4 -39.42 93.82 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.055 -0.975 . . . . 1.37 109.905 176.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' B' ' 51' ' ' GLN . 43.1 tt0 -50.02 -28.09 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.135 0.574 . . . . 1.66 111.612 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 8.5 m -82.36 -56.38 3.93 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.185 -0.606 . . . . 1.75 111.755 171.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.496 ' HB2' ' HG ' ' A' ' 38' ' ' LEU . . . -94.61 -45.73 7.26 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 117.658 2.466 . . . . 1.47 117.658 -171.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 1.666 ' HD2' ' CD1' ' B' ' 57' ' ' PHE . 11.4 t80 -148.12 49.25 1.05 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 115.28 1.585 . . . . 2.32 115.28 -141.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . 0.684 ' C ' HD12 ' B' ' 26' ' ' ILE . . . 109.32 58.33 0.53 Allowed Glycine 0 CA--C 1.475 -2.433 0 N-CA-C 106.425 -2.67 . . . . 2.73 106.425 -148.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.557 ' N ' HD12 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -87.69 -169.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.213 1 CA-C-N 106.007 -5.096 . . . . 1.67 112.661 -167.022 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 36.2 p -69.73 179.02 2.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.364 0.602 . . . . 2.84 111.748 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.7 p -75.11 -6.05 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.398 0.618 . . . . 2.73 110.927 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.39 -37.2 84.85 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.676 0.751 . . . . 4.0 109.368 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' B' ' 20' ' ' ARG . 8.3 t70 -66.19 -27.62 68.13 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.092 -0.958 . . . . 3.62 109.697 177.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 14.1 t -64.49 -27.93 69.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.892 -0.595 . . . . 3.28 110.035 178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -66.91 -41.87 86.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 3.46 110.18 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.02 29.35 4.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.234 -0.439 . . . . 2.39 111.207 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.27 159.26 1.38 Allowed 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.366 0.876 . . . . 1.89 113.366 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 61.2 mt -81.62 149.16 63.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.21 -0.905 . . . . 1.72 110.802 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.98 -23.19 76.87 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.009 3.139 . . . . 3.2 114.281 -176.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . 0.505 ' NE2' HD13 ' B' ' 75' ' ' ILE . 3.3 pt20 -129.07 156.16 44.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.964 -0.384 . . . . 3.24 109.964 -173.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 16.4 p -79.36 140.29 37.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.836 -1.172 . . . . 1.98 107.836 170.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.626 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 4.4 mm? -83.93 -44.56 0.78 Allowed Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.666 -0.697 . . . . 2.33 112.487 -173.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.552 ' HA ' ' CD2' ' B' ' 76' ' ' PHE . 75.5 Cg_exo -47.74 -35.31 23.34 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.0 1.8 . . . . 1.23 113.157 173.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.14 -41.59 81.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.144 0.497 . . . . 2.27 110.31 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.505 HD13 ' NE2' ' B' ' 70' ' ' GLN . 27.4 mm -61.78 -39.92 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 2.04 110.495 175.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 1.659 ' HE2' ' CE1' ' B' ' 76' ' ' PHE . 12.9 m-30 -61.77 -33.54 74.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.628 -0.715 . . . . 3.08 110.531 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -71.24 -32.54 68.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.191 -0.459 . . . . 2.51 111.078 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.25 -64.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.605 0.594 . . . . 1.24 112.605 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.02 -39.51 93.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.248 -0.433 . . . . 1.47 111.871 -171.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.406 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . . . -72.89 -13.59 61.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.193 -0.458 . . . . 1.7 112.045 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.2 t -107.4 -4.59 18.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.79 0.329 . . . . 2.49 110.73 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.98 120.3 0.8 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.821 -0.704 . . . . 2.63 112.06 -178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.748 -0.644 . . . . 4.9 110.446 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 7.7 m-20 . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.139 -0.689 . . . . 2.4 109.139 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.428 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 29.6 p-10 -85.44 -18.32 33.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.353 -0.385 . . . . 2.52 110.845 -177.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HD2' ' CZ ' ' B' ' 28' ' ' PHE . 31.0 mmtp -71.53 -39.63 70.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.386 -0.37 . . . . 2.39 110.047 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HE3' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -69.0 -20.32 64.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 1.98 110.353 174.36 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.656 ' O ' ' HB3' ' A' ' 23' ' ' TYR . 12.3 mtt180 -85.04 -13.24 51.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 3.0 110.477 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.545 ' O ' HG12 ' A' ' 25' ' ' ILE . 14.1 tp -75.16 -35.11 61.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.985 -0.746 . . . . 1.28 108.985 170.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.701 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -62.13 -33.64 74.86 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.534 -0.543 . . . . 1.42 109.534 172.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.955 ' CE1' ' HB2' ' A' ' 62' ' ' GLU . 62.7 t80 -50.35 -50.25 51.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.274 -0.875 . . . . 3.42 109.406 172.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.02 80.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.276 -0.874 . . . . 1.62 111.453 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 21' ' ' LEU . 9.7 mm -67.75 -55.46 16.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.075 -0.966 . . . . 1.54 110.214 -172.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.0 mt -64.98 -38.25 82.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.114 -0.494 . . . . 1.37 110.586 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -62.22 -49.15 76.87 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.653 0.263 . . . . 1.68 111.139 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.465 ' HB2' ' HG3' ' A' ' 73' ' ' PRO . 13.3 t80 -64.2 -56.14 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.259 0.552 . . . . 2.76 110.294 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.668 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.5 mp -60.88 -32.68 72.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.039 -0.982 . . . . 1.28 111.662 -176.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -55.75 -58.25 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.114 0.483 . . . . 1.62 111.1 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.68 -36.72 59.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.131 -0.486 . . . . 1.98 111.123 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.03 -34.03 74.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.995 0.426 . . . . 1.92 110.121 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.668 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.46 -50.66 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.734 -0.667 . . . . 1.76 109.718 176.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 4.9 tpm_? -64.41 -31.52 72.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.63 -0.714 . . . . 4.02 111.151 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -82.17 -12.18 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.964 0.412 . . . . 3.46 111.057 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.69 37.71 67.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.036 -0.602 . . . . 0.58 112.134 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 -32.44 81.91 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.257 -0.497 . . . . 0.52 112.783 -177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.453 HD21 HD12 ' A' ' 46' ' ' LEU . 3.7 mm? -111.57 152.53 27.47 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.983 -0.377 . . . . 1.21 109.983 177.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.2 t -71.68 171.22 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 1.7 110.118 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 m -42.49 -57.42 2.65 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.632 0.975 . . . . 1.97 113.632 -169.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.85 -42.24 95.05 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.138 0.494 . . . . 2.2 111.252 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.97 -35.28 69.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.033 -0.531 . . . . 1.13 111.019 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.51 ' O ' HD22 ' A' ' 33' ' ' LEU . 9.0 tt0 -63.83 -52.68 59.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 1.74 110.662 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.32 -27.81 69.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.959 0.409 . . . . 2.36 110.436 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.3 m -67.53 -31.01 70.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 1.64 111.065 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 33.7 mt -63.57 -46.63 85.03 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.481 -0.563 . . . . 1.81 109.481 176.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 43.1 tt0 -58.52 -45.3 89.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 1.76 110.938 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.1 -42.54 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 1.23 110.41 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.64 94.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 1.12 110.82 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 46' ' ' LEU . 75.6 mt -55.68 -48.46 77.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 1.35 110.552 176.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 31.3 mm-40 -62.12 -40.27 95.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.55 . . . . 1.84 110.896 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.0 m -68.65 -46.64 68.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.9 -0.591 . . . . 1.01 111.269 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.3 mt -69.38 -28.49 66.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.686 -0.234 . . . . 1.37 111.175 -177.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 1.7 tm-20 -58.17 -49.82 75.69 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.505 -0.554 . . . . 1.65 109.505 173.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.7 m -68.79 -34.78 76.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.715 -0.675 . . . . 1.75 110.766 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.2 -67.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.6 -0.727 . . . . 1.47 112.034 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 1.605 ' HD1' ' CD2' ' A' ' 57' ' ' PHE . 98.4 m-85 -83.51 -9.25 59.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.022 0.439 . . . . 2.33 111.81 -173.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.36 45.02 20.3 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.884 -0.674 . . . . 2.72 112.429 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.61 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 5.3 m -125.43 172.75 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-O 121.691 0.758 . . . . 1.67 111.646 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -90.02 -170.18 2.69 Favored 'General case' 0 N--CA 1.432 -1.345 0 N-CA-C 107.019 -1.475 . . . . 2.84 107.019 159.665 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.404 HG11 ' OE2' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -52.86 -59.78 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 118.76 0.709 . . . . 2.74 112.548 -177.771 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.955 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -149.92 7.29 0.63 Allowed 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 123.456 1.598 . . . . 4.01 107.911 -179.543 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.56 ' HB2' ' OG1' ' A' ' 60' ' ' THR . 8.9 t70 -31.61 -86.87 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 110.203 -3.181 . . . . 3.62 113.912 -134.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.7 t -123.57 -40.08 2.37 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.69 -0.804 . . . . 3.27 110.274 171.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -54.7 -26.87 36.51 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.25 -0.886 . . . . 3.46 111.578 -169.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.573 ' N ' HD21 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -125.32 14.56 8.31 Favored 'General case' 0 N--CA 1.425 -1.704 0 C-N-CA 119.968 -0.693 . . . . 2.39 110.739 -173.179 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.616 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . . . -64.63 119.86 11.31 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.712 -0.676 . . . . 1.89 110.639 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 66' ' ' LEU . 95.8 mt -114.48 153.93 46.59 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.518 -0.765 . . . . 1.72 110.631 -173.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -42.45 -50.66 5.54 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 124.013 3.142 . . . . 3.19 113.524 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -123.42 178.14 5.3 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.553 -0.536 . . . . 3.24 109.553 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 49.9 p -85.01 140.48 31.0 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.441 0.639 . . . . 1.99 110.212 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.656 ' N ' ' HD2' ' A' ' 73' ' ' PRO . 4.2 mm? -70.53 -36.28 5.5 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.131 -0.941 . . . . 2.33 112.625 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 72' ' ' LEU . 1.8 Cg_endo -48.2 -43.11 32.25 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 121.828 1.686 . . . . 1.23 112.057 172.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.56 -43.56 89.46 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.122 0.487 . . . . 2.28 110.461 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.4 mt -59.5 -36.19 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.813 -0.63 . . . . 2.04 110.186 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -75.46 -22.13 57.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.937 -0.574 . . . . 3.08 110.959 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 44.1 mt-10 -71.71 -17.98 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.827 -0.434 . . . . 2.52 109.827 173.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.72 -44.89 9.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.871 -0.604 . . . . 1.24 110.779 171.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.15 -54.14 4.81 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.083 0.772 . . . . 1.47 113.083 -172.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' B' ' 72' ' ' LEU . . . -70.17 -13.25 62.11 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.1 0.476 . . . . 1.7 111.683 -173.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.0 m -81.1 -16.22 53.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.819 -0.628 . . . . 2.49 110.463 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.57 116.89 0.83 Allowed Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.762 -0.653 . . . . 2.64 111.524 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.581 -0.724 . . . . 4.9 110.11 -179.183 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' MET . . . . . 0.457 ' HE3' ' CG ' ' B' ' 17' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.684 -0.487 . . . . 4.05 109.684 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 6.5 m-20 -112.04 77.33 1.03 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.044 -0.724 . . . . 2.42 109.044 175.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.457 ' CG ' ' HE3' ' B' ' 15' ' ' MET . 29.5 p-10 -85.48 -18.55 33.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.172 -0.467 . . . . 2.52 110.786 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.416 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 31.0 mmtp -71.41 -39.68 70.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.426 -0.352 . . . . 2.39 110.147 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.559 ' HE3' ' CG1' ' B' ' 59' ' ' VAL . 0.0 OUTLIER -68.98 -20.42 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 1.97 110.42 174.385 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.67 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 12.1 mtt180 -84.09 -15.27 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.255 0.55 . . . . 3.01 110.413 175.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.543 ' O ' HG12 ' B' ' 25' ' ' ILE . 14.1 tp -73.73 -35.29 65.05 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.149 -0.686 . . . . 1.27 109.149 170.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.689 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -62.15 -33.62 74.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.578 -0.527 . . . . 1.42 109.578 172.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.956 ' CE1' ' HB2' ' B' ' 62' ' ' GLU . 62.8 t80 -50.37 -50.15 52.26 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.196 -0.911 . . . . 3.41 109.388 172.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.05 80.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.318 -0.855 . . . . 1.62 111.371 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.543 HG12 ' O ' ' B' ' 21' ' ' LEU . 9.7 mm -67.72 -55.34 17.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.086 -0.961 . . . . 1.54 110.264 -172.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 44.7 mt -65.1 -38.25 82.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.106 -0.497 . . . . 1.37 110.561 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.09 -49.19 76.93 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.834 0.35 . . . . 1.67 111.167 176.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . 0.477 ' HB2' ' HG3' ' B' ' 73' ' ' PRO . 13.2 t80 -64.31 -56.15 16.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.23 0.538 . . . . 2.76 110.324 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.666 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.5 mp -60.75 -32.89 72.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.159 -0.928 . . . . 1.28 111.662 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -55.59 -58.34 8.19 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.184 0.516 . . . . 1.63 111.039 178.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.6 -36.72 60.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.113 -0.494 . . . . 1.98 111.13 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.05 -34.13 74.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.043 0.449 . . . . 1.93 110.146 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.666 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -64.42 -50.6 66.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.665 -0.698 . . . . 1.76 109.702 176.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.478 ' NE ' ' HA ' ' B' ' 34' ' ' ARG . 4.9 tpm_? -64.42 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.529 -0.76 . . . . 4.03 111.071 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -82.5 -11.88 58.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 3.47 111.048 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.5 37.69 69.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.122 -0.561 . . . . 0.58 112.073 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.85 -32.46 81.95 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.299 -0.477 . . . . 0.53 112.678 -177.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.434 HD21 HD12 ' B' ' 46' ' ' LEU . 3.7 mm? -111.67 152.67 27.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.891 -0.411 . . . . 1.21 109.891 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.8 t -71.73 171.09 12.2 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.295 -0.412 . . . . 1.7 110.11 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 8.8 m -42.52 -57.36 2.69 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.815 1.042 . . . . 1.96 113.815 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.94 -42.11 94.93 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.005 0.431 . . . . 2.21 111.218 -175.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.28 69.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.136 -0.484 . . . . 1.13 111.07 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.507 ' O ' HD22 ' B' ' 33' ' ' LEU . 9.2 tt0 -63.82 -52.6 59.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.638 -0.71 . . . . 1.74 110.654 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.37 -27.94 69.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 2.36 110.505 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -67.5 -31.02 70.86 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.894 -0.593 . . . . 1.64 111.054 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.465 ' HB2' ' CD2' ' B' ' 33' ' ' LEU . 33.5 mt -63.57 -46.57 85.27 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.53 -0.545 . . . . 1.81 109.53 176.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 43.3 tt0 -58.63 -45.05 90.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.292 -0.867 . . . . 1.75 110.989 -178.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -64.35 -42.56 95.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 1.23 110.269 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.61 94.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 1.13 110.829 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 46' ' ' LEU . 75.8 mt -55.5 -48.58 77.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 1.36 110.626 176.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 30.6 mm-40 -62.08 -40.29 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 1.84 110.847 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 72.6 m -68.66 -46.66 68.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 1.01 111.207 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 85.7 mt -69.45 -28.54 66.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.675 -0.239 . . . . 1.37 111.163 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 1.7 tm-20 -58.01 -49.95 75.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.619 -0.511 . . . . 1.66 109.619 173.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -68.64 -34.81 76.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.597 -0.729 . . . . 1.75 110.7 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.17 -67.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.728 -0.669 . . . . 1.47 112.138 -177.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 1.661 ' HD1' ' CD2' ' B' ' 57' ' ' PHE . 98.4 m-85 -83.56 -9.6 58.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.344 -0.389 . . . . 2.32 111.778 -173.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.68 44.91 19.12 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.978 -0.629 . . . . 2.73 112.316 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.614 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 5.4 m -125.26 172.89 12.24 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-O 121.626 0.727 . . . . 1.67 111.749 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' THR . . . . . 0.526 ' OG1' ' HB2' ' B' ' 63' ' ' ASP . 0.7 OUTLIER -90.49 -171.05 2.94 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 106.869 -1.53 . . . . 2.84 106.869 159.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.403 HG11 ' OE2' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -53.87 -59.12 2.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 118.809 0.731 . . . . 2.73 112.594 -176.642 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.956 ' HB2' ' CE1' ' B' ' 23' ' ' TYR . 0.0 OUTLIER -146.4 7.66 1.01 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 123.262 1.506 . . . . 4.0 108.935 178.749 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.526 ' HB2' ' OG1' ' B' ' 60' ' ' THR . 14.6 t70 -41.14 -83.51 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 111.355 -2.657 . . . . 3.62 115.027 -125.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 19.7 t -110.08 -48.38 3.2 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 119.76 1.164 . . . . 3.28 113.019 165.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -52.49 -26.65 13.57 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 112.412 -2.176 . . . . 3.46 111.339 -163.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.569 ' N ' HD21 ' B' ' 66' ' ' LEU . 0.4 OUTLIER -125.04 14.66 8.47 Favored 'General case' 0 N--CA 1.421 -1.887 0 C-N-CA 120.056 -0.658 . . . . 2.39 110.644 -173.472 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.612 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . . . -64.49 119.94 11.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.917 -0.583 . . . . 1.89 110.544 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 66' ' ' LEU . 95.9 mt -114.77 154.09 46.86 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.568 -0.742 . . . . 1.72 110.578 -173.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -43.16 -49.68 7.02 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.946 3.098 . . . . 3.2 113.679 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -123.96 177.96 5.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.451 -0.574 . . . . 3.24 109.451 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.5 p -84.88 143.87 28.76 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.558 0.694 . . . . 1.98 109.862 177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.663 ' N ' ' HD2' ' B' ' 73' ' ' PRO . 4.2 mm? -73.35 -36.15 3.02 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.016 -0.993 . . . . 2.33 112.284 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' B' ' 72' ' ' LEU . 1.7 Cg_endo -48.12 -43.04 31.96 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.806 1.671 . . . . 1.23 112.021 172.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.66 -43.8 88.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.047 0.451 . . . . 2.27 110.399 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.3 -36.09 61.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.954 -0.566 . . . . 2.04 110.23 176.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -75.56 -22.08 57.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.993 -0.549 . . . . 3.08 111.0 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.2 mt-10 -71.47 -19.36 62.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.698 -0.482 . . . . 2.51 109.698 173.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.55 -46.01 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 1.24 110.977 171.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.62 -54.2 4.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.174 0.805 . . . . 1.47 113.174 -172.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.418 ' HA ' HD12 ' A' ' 72' ' ' LEU . . . -70.17 -13.3 62.13 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.105 0.478 . . . . 1.7 111.619 -173.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.1 m -81.24 -15.93 54.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.777 -0.647 . . . . 2.49 110.446 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.63 117.23 0.85 Allowed Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.741 -0.663 . . . . 2.63 111.48 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.485 -0.769 . . . . 4.9 110.003 -179.246 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.932 0.396 . . . . 2.4 110.298 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' OD1' ' HA ' ' B' ' 81' ' ' THR . 12.6 t30 -72.46 -6.02 40.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.442 0.639 . . . . 2.52 109.77 178.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -46.68 -47.54 20.29 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.85 -1.068 . . . . 2.39 110.191 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HB3' HG13 ' A' ' 59' ' ' VAL . 30.3 mtmt -62.7 -34.72 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.884 -1.053 . . . . 1.98 110.935 -175.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.701 ' O ' ' HB3' ' A' ' 23' ' ' TYR . 32.8 mtm180 -85.56 -13.82 47.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.542 -0.754 . . . . 3.0 111.058 -172.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.31 -49.18 75.0 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.752 -0.833 . . . . 1.28 108.752 167.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.593 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -61.09 -36.57 80.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.823 -0.626 . . . . 1.42 110.382 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 1.65 ' HD1' ' CD2' ' A' ' 23' ' ' TYR . 10.5 t80 -41.84 -58.77 1.91 Allowed 'General case' 0 N--CA 1.462 0.132 0 O-C-N 124.029 0.831 . . . . 3.42 111.658 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HB3' ' HG ' ' A' ' 72' ' ' LEU . . . -76.27 -26.42 55.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.087 -0.506 . . . . 1.62 111.799 -173.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.519 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 76.5 mt -66.28 -42.2 90.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.099 -0.704 . . . . 1.54 109.099 175.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.81 -50.85 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.733 -0.667 . . . . 1.37 110.304 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.509 ' NE2' HG13 ' A' ' 61' ' ' VAL . 28.8 mm-40 -57.02 -55.27 36.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.004 -0.544 . . . . 1.68 111.995 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -71.03 -47.99 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.082 -0.508 . . . . 2.76 111.365 -172.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.586 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 11.0 mp -65.09 -26.34 68.18 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.036 -0.265 . . . . 1.28 111.0 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -58.11 -54.14 50.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.308 0.575 . . . . 1.62 110.585 174.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.09 -37.29 54.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.988 -0.551 . . . . 1.98 110.839 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.66 -34.04 68.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.33 0.586 . . . . 1.92 109.823 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.586 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.13 -53.98 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.93 -1.032 . . . . 1.76 109.895 176.487 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -78.89 -11.44 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.556 -0.747 . . . . 4.02 111.696 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -89.29 -13.89 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 3.46 110.612 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.71 40.25 76.56 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.846 -0.616 . . . . 0.58 111.825 -178.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.9 -45.08 96.46 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 121.236 -0.507 . . . . 0.52 113.085 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.445 HD21 HD13 ' A' ' 46' ' ' LEU . 3.1 mm? -105.61 -177.59 3.41 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.922 -0.163 . . . . 1.21 110.582 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.5 t -71.6 -177.24 1.81 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.784 0.326 . . . . 1.7 111.074 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -59.09 -62.39 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 1.97 111.924 -174.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.9 -37.68 84.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 2.2 110.7 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.02 87.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.737 -0.665 . . . . 1.13 110.751 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.433 ' O ' HD22 ' A' ' 33' ' ' LEU . 8.8 tt0 -59.5 -53.88 53.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 1.74 110.122 177.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.87 -33.03 68.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.878 0.37 . . . . 2.36 110.904 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.5 m -66.0 -33.92 76.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 1.64 111.433 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.507 ' O ' HG13 ' A' ' 50' ' ' ILE . 27.6 mt -60.94 -49.73 76.29 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.116 0.484 . . . . 1.81 109.736 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.27 -42.75 91.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.103 -0.953 . . . . 1.76 111.3 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.34 -44.19 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.922 0.391 . . . . 1.23 110.106 177.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.76 92.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 1.12 110.913 178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 46' ' ' LEU . 67.2 mt -53.62 -55.12 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.028 -0.533 . . . . 1.35 110.684 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -63.85 -36.8 85.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 1.84 111.352 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.7 m -65.06 -50.18 67.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 1.01 110.889 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.87 -34.9 74.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.594 0.235 . . . . 1.37 111.177 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.39 -48.76 76.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.285 0.564 . . . . 1.65 109.826 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 m -73.52 -32.87 64.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.443 -0.798 . . . . 1.75 110.768 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.84 -54.97 35.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 1.47 111.743 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 1.61 ' HE2' ' CE1' ' A' ' 57' ' ' PHE . 88.1 m-85 -90.28 0.92 57.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.874 0.369 . . . . 2.33 111.535 -176.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.24 44.53 90.69 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.768 -0.651 . . . . 2.72 112.745 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 19' ' ' LYS . 7.9 m -126.4 177.94 4.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.746 0.308 . . . . 1.67 110.939 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.566 ' OG1' ' HB2' ' A' ' 63' ' ' ASP . 2.7 p -118.3 -171.64 2.11 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.189 -0.671 . . . . 2.84 109.189 171.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.509 HG13 ' NE2' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -34.79 -69.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 122.456 1.122 . . . . 2.74 113.408 -173.001 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HB2' ' HE2' ' A' ' 23' ' ' TYR . 12.5 pt-20 -147.12 12.38 1.08 Allowed 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.632 -1.622 . . . . 4.01 107.138 -174.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.566 ' HB2' ' OG1' ' A' ' 60' ' ' THR . 17.6 t70 -8.31 -86.39 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 111.092 -2.776 . . . . 3.62 109.851 -132.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.6 t -138.54 -35.27 0.6 Allowed 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.832 -0.747 . . . . 3.27 110.639 155.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.6 -15.39 63.63 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.352 0.501 . . . . 3.46 112.352 -168.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.465 ' N ' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -111.67 11.69 21.1 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.191 -0.604 . . . . 2.39 110.557 -178.556 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.575 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . . . -60.75 129.3 40.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.696 -0.684 . . . . 1.89 110.702 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 67.2 mt -121.41 141.45 33.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 110.413 -0.217 . . . . 1.72 110.413 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -47.23 -53.34 6.51 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.045 2.497 . . . . 3.19 113.566 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -113.89 159.22 20.1 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.934 -0.395 . . . . 3.24 109.934 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 53.3 p -74.74 139.65 43.55 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.314 0.578 . . . . 1.99 110.045 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.5 mt -72.1 -40.25 7.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.34 -0.846 . . . . 2.33 113.238 -173.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -46.95 -35.75 18.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.963 1.775 . . . . 1.23 113.162 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.11 -44.32 80.24 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.175 0.512 . . . . 2.28 109.815 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.97 -38.72 75.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.601 -0.727 . . . . 2.04 109.926 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 1.646 ' HD1' ' CD2' ' A' ' 76' ' ' PHE . 14.8 m-30 -66.91 -35.82 80.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.476 -0.783 . . . . 3.08 110.9 -175.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -75.68 -16.03 60.23 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.551 -0.459 . . . . 2.52 110.807 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.38 -54.83 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 1.24 111.45 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.19 -52.63 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.186 0.517 . . . . 1.47 111.815 -175.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 76' ' ' PHE . . . -68.44 -9.86 51.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.397 -0.82 . . . . 1.7 111.86 -172.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.471 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 7.2 t -72.35 -16.61 61.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.107 0.479 . . . . 2.49 110.662 177.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.61 102.86 0.16 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.943 -0.646 . . . . 2.64 111.799 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 tttp . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.588 -0.72 . . . . 4.9 109.929 -178.437 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 45.4 ttp . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.827 0.346 . . . . 4.05 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.62 93.19 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.305 -0.407 . . . . 2.42 110.345 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.471 ' OD1' ' HA ' ' A' ' 81' ' ' THR . 12.5 t30 -72.46 -6.0 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.434 0.635 . . . . 2.52 109.665 178.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -46.73 -47.42 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.927 -1.033 . . . . 2.39 110.118 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.418 ' HB3' HG13 ' B' ' 59' ' ' VAL . 30.3 mtmt -62.83 -34.99 78.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.104 -0.953 . . . . 1.97 110.947 -175.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.701 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 31.9 mtm180 -84.26 -15.67 45.92 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.43 -0.805 . . . . 3.01 111.158 -173.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.03 -49.3 76.55 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.909 -0.775 . . . . 1.27 108.909 167.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.59 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -61.2 -36.66 80.49 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.815 -0.629 . . . . 1.42 110.283 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 1.663 ' HD2' ' CD1' ' B' ' 23' ' ' TYR . 10.5 t80 -41.76 -58.74 1.89 Allowed 'General case' 0 C--N 1.333 -0.141 0 O-C-N 124.06 0.85 . . . . 3.41 111.647 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.434 ' HB3' ' HG ' ' B' ' 72' ' ' LEU . . . -76.4 -26.32 55.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.131 -0.486 . . . . 1.62 111.746 -173.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 76.7 mt -66.31 -42.18 90.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.074 -0.713 . . . . 1.54 109.074 175.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.8 -50.81 73.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.73 -0.668 . . . . 1.37 110.347 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.507 ' NE2' HG13 ' B' ' 61' ' ' VAL . 28.0 mm-40 -57.09 -55.19 37.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.015 -0.539 . . . . 1.67 111.959 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -71.14 -48.0 54.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.179 -0.464 . . . . 2.76 111.395 -172.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 11.0 mp -64.96 -26.3 68.24 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.116 -0.233 . . . . 1.28 110.977 -178.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -58.24 -54.2 49.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.315 0.579 . . . . 1.63 110.48 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -37.27 55.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.844 -0.616 . . . . 1.98 110.916 -178.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -57.65 -34.09 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.29 0.567 . . . . 1.93 109.771 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.571 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -59.05 -53.87 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.966 -1.016 . . . . 1.76 110.017 176.404 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -79.08 -11.32 59.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.538 -0.756 . . . . 4.03 111.591 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -89.43 -13.61 37.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.0 0.429 . . . . 3.47 110.702 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.57 40.2 78.09 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.815 -0.63 . . . . 0.58 111.909 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.71 -45.28 95.97 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.281 -0.485 . . . . 0.53 112.997 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.454 HD21 HD13 ' B' ' 46' ' ' LEU . 3.1 mm? -105.5 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.483 -0.191 . . . . 1.21 110.483 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.0 t -71.97 -176.85 1.83 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.656 0.265 . . . . 1.7 111.084 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 44.4 t -59.36 -62.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 1.96 111.808 -174.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.84 -37.54 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.081 0.467 . . . . 2.21 110.687 -177.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.9 88.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.758 -0.656 . . . . 1.13 110.718 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.422 ' O ' HD22 ' B' ' 33' ' ' LEU . 8.8 tt0 -59.58 -53.74 54.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.638 -0.71 . . . . 1.74 110.109 177.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.93 -33.1 68.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.824 0.345 . . . . 2.36 110.912 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 36.3 m -65.88 -34.08 77.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.879 -0.601 . . . . 1.64 111.398 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.503 ' O ' HG13 ' B' ' 50' ' ' ILE . 27.9 mt -60.99 -49.62 76.68 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.133 0.492 . . . . 1.81 109.768 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.33 -42.67 92.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.164 -0.925 . . . . 1.75 111.305 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.2 t -64.42 -44.1 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.985 -0.376 . . . . 1.23 109.985 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.8 92.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.039 -0.528 . . . . 1.13 110.861 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.503 HG13 ' O ' ' B' ' 46' ' ' LEU . 67.0 mt -53.48 -55.22 14.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.936 -0.574 . . . . 1.36 110.674 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -63.82 -36.77 84.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.84 111.359 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.98 -50.3 66.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.105 -0.498 . . . . 1.01 110.963 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.84 -34.87 74.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.621 0.248 . . . . 1.37 111.215 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.42 -48.8 76.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.275 0.559 . . . . 1.66 109.798 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 16.1 m -73.45 -32.86 64.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.449 -0.796 . . . . 1.75 110.822 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.98 -54.64 40.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.872 -0.603 . . . . 1.47 111.784 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 1.644 ' HE2' ' CE1' ' B' ' 57' ' ' PHE . 87.9 m-85 -90.52 1.19 56.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.015 0.435 . . . . 2.32 111.504 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.76 44.91 91.39 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.788 -0.642 . . . . 2.73 112.764 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.418 HG13 ' HB3' ' B' ' 19' ' ' LYS . 7.6 m -126.6 178.13 4.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.863 0.363 . . . . 1.67 110.87 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' THR . . . . . 0.605 ' OG1' ' HB2' ' B' ' 63' ' ' ASP . 2.8 p -118.81 -171.43 2.09 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.71 -0.677 . . . . 2.84 109.225 171.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.507 HG13 ' NE2' ' B' ' 27' ' ' GLN . 0.2 OUTLIER -39.92 -63.65 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 114.018 1.118 . . . . 2.73 114.018 -169.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' B' ' 63' ' ' ASP . 12.7 pt-20 -147.52 18.09 1.17 Allowed 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.163 -1.38 . . . . 4.0 108.918 -176.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.605 ' HB2' ' OG1' ' B' ' 60' ' ' THR . 13.4 t70 -29.28 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 118.679 -1.209 . . . . 3.62 110.434 -117.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . 0.266 38.2 t -117.34 -45.53 2.72 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 122.884 2.583 . . . . 3.28 114.181 147.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.09 -14.67 61.06 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 112.566 -2.107 . . . . 3.46 111.977 -159.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.461 ' N ' HD21 ' B' ' 66' ' ' LEU . 0.2 OUTLIER -111.6 11.55 21.21 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 120.063 -0.655 . . . . 2.39 110.362 -178.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.574 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . . . -60.76 129.09 39.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.71 -0.677 . . . . 1.89 110.583 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 67.6 mt -121.29 141.77 33.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 119.589 -0.243 . . . . 1.72 110.407 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -48.58 -51.05 11.0 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.972 2.448 . . . . 3.2 113.821 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -115.29 159.2 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.785 -0.45 . . . . 3.24 109.785 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.4 p -74.8 143.42 43.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.226 -0.589 . . . . 1.98 109.488 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.595 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 67.1 mt -75.24 -39.98 3.38 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.4 -0.818 . . . . 2.33 112.989 -173.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.92 -35.93 19.19 Favored 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 122.038 1.825 . . . . 1.23 113.1 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.92 -44.63 80.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.113 0.483 . . . . 2.27 109.82 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.62 -38.88 73.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 115.665 -0.698 . . . . 2.04 109.962 173.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 1.634 ' HE1' ' CE2' ' B' ' 76' ' ' PHE . 14.8 m-30 -66.81 -35.78 80.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.445 -0.798 . . . . 3.08 110.905 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -75.58 -16.92 60.19 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.967 -0.458 . . . . 2.51 110.677 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.98 -55.46 3.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 1.24 111.56 177.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.9 -52.74 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.234 0.54 . . . . 1.47 111.882 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' B' ' 76' ' ' PHE . . . -67.56 -11.69 58.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.356 -0.838 . . . . 1.7 111.813 -172.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.457 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 6.9 t -71.02 -16.66 62.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.071 0.462 . . . . 2.49 110.793 177.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.5 102.95 0.16 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.016 -0.612 . . . . 2.63 111.838 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.342 -0.837 . . . . 4.9 110.064 -178.379 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 6.3 m-20 . . . . . 0 CA--C 1.517 -0.31 0 CA-C-O 120.73 0.3 . . . . 2.4 110.374 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.48 ' OD1' ' HD2' ' A' ' 18' ' ' LYS . 30.9 p-10 -74.25 -6.25 46.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.689 0.281 . . . . 2.52 110.486 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HD2' ' OD1' ' A' ' 17' ' ' ASN . 11.8 mptt -75.32 -51.75 12.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 2.39 110.742 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HB2' ' CG1' ' A' ' 59' ' ' VAL . 21.0 ptmt -63.76 -39.84 95.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.244 0.545 . . . . 1.98 110.599 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.53 HH11 ' HG ' ' A' ' 68' ' ' LEU . 79.2 mtt180 -62.68 -41.58 99.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.546 -0.752 . . . . 3.0 109.627 177.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.637 HD11 ' CE2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -62.08 -37.72 86.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.723 -0.671 . . . . 1.28 110.114 179.554 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -56.35 -31.03 63.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.312 -0.404 . . . . 1.42 110.815 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CD2' ' HB3' ' A' ' 63' ' ' ASP . 15.7 t80 -62.94 -39.19 93.87 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.013 -0.54 . . . . 3.42 110.409 176.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -55.0 -43.2 73.39 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.178 0.513 . . . . 1.62 111.107 173.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 13.6 mm -63.83 -51.41 69.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.903 -1.044 . . . . 1.54 109.389 -176.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.442 HG12 HG21 ' A' ' 50' ' ' ILE . 81.1 mt -60.55 -51.31 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.159 -0.928 . . . . 1.37 110.909 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -50.54 -59.46 4.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 1.68 112.249 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 1.656 ' HD2' ' CD1' ' A' ' 28' ' ' PHE . 68.5 t80 -78.38 -61.78 1.9 Allowed 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.699 -0.401 . . . . 2.76 111.694 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 7.2 mp -56.91 -24.29 51.19 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.66 0.615 . . . . 1.28 112.66 -172.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -87.78 -38.19 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.126 -0.629 . . . . 1.62 110.856 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.32 -47.91 69.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 1.98 109.938 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.488 HE21 ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.47 -30.87 69.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.986 -1.006 . . . . 1.92 110.642 175.325 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -60.63 -41.71 95.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 1.76 110.233 -178.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -75.06 -22.87 58.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.107 -0.497 . . . . 4.02 110.86 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -85.34 -33.23 22.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.393 . . . . 3.46 111.589 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.559 ' HA2' ' OE1' ' A' ' 43' ' ' GLN . . . 102.37 43.44 2.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.694 -0.765 . . . . 0.58 112.773 177.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.51 -60.48 5.03 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.52 112.678 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.11 176.08 9.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.722 -0.281 . . . . 1.21 110.921 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 t -66.62 167.71 10.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 1.7 111.087 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 6.4 p -54.63 -53.87 49.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.931 0.345 . . . . 1.97 111.931 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.19 -37.85 88.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.044 0.449 . . . . 2.2 110.76 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.553 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -62.68 -40.41 97.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.785 -0.643 . . . . 1.13 110.546 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.559 ' OE1' ' HA2' ' A' ' 36' ' ' GLY . 20.6 mt-30 -52.26 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.697 -0.683 . . . . 1.74 111.187 176.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' HG21 ' A' ' 48' ' ' VAL . 37.4 mm-40 -48.78 -38.53 22.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.307 -0.86 . . . . 2.36 111.633 177.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.2 m -67.56 -39.68 84.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.358 -0.383 . . . . 1.64 111.691 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 42.4 mt -66.68 -35.99 81.46 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.019 -0.363 . . . . 1.81 110.019 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 7.4 tp10 -54.87 -55.51 29.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 1.76 109.975 176.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 44' ' ' GLU . 16.0 t -52.57 -50.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.283 -0.871 . . . . 1.23 110.41 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.525 ' HA ' ' HA ' ' B' ' 49' ' ' ALA . . . -60.74 -50.34 73.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.171 -0.922 . . . . 1.12 111.632 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.489 HD12 ' CB ' ' A' ' 29' ' ' LEU . 61.5 mt -61.82 -42.01 92.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.551 . . . . 1.35 111.65 -176.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 74.3 mm-40 -63.32 -39.63 95.08 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.071 0.463 . . . . 1.84 110.435 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 79.6 m -68.91 -42.54 76.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 1.01 110.573 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 95.3 mt -62.86 -46.45 87.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.616 0.246 . . . . 1.37 111.18 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -55.8 -45.34 78.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 1.65 110.289 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.7 m -74.88 -35.27 62.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.723 -0.671 . . . . 1.75 111.157 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.01 -55.84 22.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.114 0.483 . . . . 1.47 111.241 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' A' ' 57' ' ' PHE . 92.9 m-85 -77.28 -27.37 53.09 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.832 -0.622 . . . . 2.33 110.977 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.07 42.15 45.11 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.866 -0.606 . . . . 2.72 111.634 -176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 19' ' ' LYS . 27.4 m -113.33 153.22 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.923 0.392 . . . . 1.67 111.693 -174.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.9 p -142.35 -168.18 2.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.751 -0.659 . . . . 2.84 110.576 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.442 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 12.4 p -60.72 -11.11 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-O 121.856 0.836 . . . . 2.74 112.117 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 65' ' ' ASP . 20.6 mm-40 -56.87 -23.33 43.69 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.918 -0.489 . . . . 4.01 110.707 176.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.594 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 14.0 t70 -69.22 -26.66 64.92 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.33 -0.395 . . . . 3.62 110.617 178.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -65.33 -32.67 74.44 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.956 -0.387 . . . . 3.27 109.956 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 65.0 m-20 -61.94 -32.62 73.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 3.46 110.736 175.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.476 ' O ' HD21 ' A' ' 68' ' ' LEU . 3.7 pp -110.03 30.12 7.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.407 -0.36 . . . . 2.39 111.059 176.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -30.19 109.78 0.06 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 123.052 1.406 . . . . 1.89 114.352 -165.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.825 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 0.1 OUTLIER -127.15 -143.8 0.0 OUTLIER Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 111.719 -2.491 . . . . 1.72 107.59 -169.811 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.738 ' HD2' ' CD1' ' A' ' 68' ' ' LEU . 11.6 Cg_exo -32.92 24.05 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.883 1 C-N-CA 126.36 4.706 . . . . 3.19 116.208 147.067 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.825 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 1.9 pt20 -57.4 -168.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 124.886 1.275 . . . . 3.24 108.292 159.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.66 114.43 0.7 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 119.233 0.924 . . . . 1.99 111.851 -171.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 70' ' ' GLN . 0.9 OUTLIER -90.72 -30.02 0.34 Allowed Pre-proline 0 C--O 1.181 -2.536 0 CA-C-O 116.592 -1.67 . . . . 2.33 114.939 -177.561 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.636 ' HG2' ' CG ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -30.68 -36.98 0.05 OUTLIER 'Trans proline' 0 CA--C 1.552 1.383 0 C-N-CA 122.923 2.415 . . . . 1.23 116.336 -172.703 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' LEU . 1.3 tm-20 -80.23 -55.85 4.63 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 118.267 0.485 . . . . 2.28 109.968 171.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.566 ' HB ' ' HG ' ' A' ' 72' ' ' LEU . 56.5 mt -44.73 -51.46 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-O 121.625 0.726 . . . . 2.04 110.866 170.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.642 ' CE2' HD11 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -62.88 -44.81 95.12 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 114.727 -1.124 . . . . 3.08 110.526 -177.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 73' ' ' PRO . 11.0 tp10 -53.88 -27.28 29.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.788 0.804 . . . . 2.52 109.606 178.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.61 2.22 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.778 -1.101 . . . . 1.24 111.481 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.07 67.46 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.056 0.455 . . . . 1.47 111.394 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.472 ' HA ' ' HD3' ' B' ' 69' ' ' PRO . . . -69.19 -40.6 77.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.387 -0.824 . . . . 1.7 111.773 -175.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 p -82.37 -31.93 29.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.197 -0.456 . . . . 2.49 111.497 -176.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.26 54.86 4.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 2.64 112.49 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.676 -0.678 . . . . 4.9 109.702 179.137 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 57.2 ttp . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 121.018 0.437 . . . . 4.05 110.389 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 6.7 m-20 -82.78 103.51 12.33 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.915 -0.584 . . . . 2.42 110.251 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.498 ' OD1' ' HD2' ' B' ' 18' ' ' LYS . 31.2 p-10 -74.46 -6.05 46.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.755 0.312 . . . . 2.52 110.532 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.498 ' HD2' ' OD1' ' B' ' 17' ' ' ASN . 11.8 mptt -75.21 -51.86 12.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 2.39 110.735 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.488 ' HB2' ' CG1' ' B' ' 59' ' ' VAL . 21.0 ptmt -63.63 -40.03 95.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.281 0.563 . . . . 1.97 110.591 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.556 HH11 ' HG ' ' B' ' 68' ' ' LEU . 79.0 mtt180 -62.58 -41.65 99.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.507 -0.769 . . . . 3.01 109.638 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.642 HD11 ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -62.07 -37.61 85.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.734 -0.666 . . . . 1.27 110.151 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.405 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -56.4 -30.98 63.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.257 -0.428 . . . . 1.42 110.866 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.582 ' CD2' ' HB3' ' B' ' 63' ' ' ASP . 15.9 t80 -63.04 -39.21 94.06 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.941 -0.572 . . . . 3.41 110.361 176.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' B' ' 69' ' ' PRO . . . -54.93 -43.08 73.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.284 0.564 . . . . 1.62 111.238 173.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 13.4 mm -63.92 -51.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.807 -1.088 . . . . 1.54 109.45 -176.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.434 HG12 HG21 ' B' ' 50' ' ' ILE . 81.2 mt -60.55 -51.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.111 -0.95 . . . . 1.37 110.856 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -50.28 -59.75 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 1.67 112.297 -176.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . 1.651 ' HD2' ' CD1' ' B' ' 28' ' ' PHE . 68.3 t80 -78.21 -61.91 1.85 Allowed 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.791 -0.364 . . . . 2.76 111.704 -176.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.527 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 7.2 mp -56.83 -24.46 51.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.75 0.648 . . . . 1.28 112.75 -172.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -87.32 -38.39 16.29 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.179 -0.609 . . . . 1.63 110.872 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -67.25 -48.03 68.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.584 0.707 . . . . 1.98 110.024 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.483 HE21 ' HA ' ' B' ' 29' ' ' LEU . 0.0 OUTLIER -60.43 -30.73 69.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.072 -0.967 . . . . 1.93 110.706 175.32 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -60.7 -41.69 95.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 1.76 110.306 -178.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -75.09 -23.02 57.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 4.03 110.823 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -85.17 -33.13 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.477 -0.329 . . . . 3.47 111.547 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . 0.58 ' HA2' ' OE1' ' B' ' 43' ' ' GLN . . . 102.54 42.67 2.12 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.618 -0.801 . . . . 0.58 112.886 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.1 -60.75 4.99 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 120.774 -0.727 . . . . 0.53 112.65 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.87 176.06 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.584 0.231 . . . . 1.21 110.903 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 32.2 t -66.73 167.99 10.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.335 -0.393 . . . . 1.7 111.247 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 7.7 p -54.82 -53.7 51.81 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.941 0.348 . . . . 1.96 111.941 -175.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -65.33 -37.86 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.091 0.472 . . . . 2.21 110.765 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -62.6 -40.45 96.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 1.13 110.518 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.58 ' OE1' ' HA2' ' B' ' 36' ' ' GLY . 20.7 mt-30 -52.09 -65.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.785 -0.643 . . . . 1.74 111.25 176.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.493 ' O ' HG21 ' B' ' 48' ' ' VAL . 34.8 mm-40 -48.75 -38.5 21.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.167 -0.924 . . . . 2.36 111.622 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -67.43 -39.88 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 1.64 111.645 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 41.7 mt -66.47 -36.18 82.12 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.058 -0.349 . . . . 1.81 110.058 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 7.5 tp10 -54.8 -55.48 29.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.75 109.998 176.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.493 HG21 ' O ' ' B' ' 44' ' ' GLU . 15.9 t -52.64 -50.45 41.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.321 -0.854 . . . . 1.23 110.332 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.525 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . . . -60.58 -50.23 74.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.203 -0.908 . . . . 1.13 111.745 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.488 HD12 ' CB ' ' B' ' 29' ' ' LEU . 61.4 mt -61.88 -42.04 93.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.976 -0.556 . . . . 1.36 111.603 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 74.5 mm-40 -63.28 -39.83 95.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.103 0.478 . . . . 1.84 110.38 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -68.65 -42.54 77.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 1.01 110.667 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 95.4 mt -62.89 -46.47 87.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.645 0.259 . . . . 1.37 111.151 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.94 -45.04 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 1.66 110.376 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.6 m -75.11 -35.19 61.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.692 -0.685 . . . . 1.75 111.189 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.9 21.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 1.47 111.316 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 1.664 ' HE2' ' CE1' ' B' ' 57' ' ' PHE . 91.9 m-85 -77.64 -26.61 50.61 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.972 -0.558 . . . . 2.32 111.059 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.79 42.17 47.09 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.757 -0.656 . . . . 2.73 111.683 -176.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' B' ' 19' ' ' LYS . 28.4 m -113.3 152.76 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.891 0.377 . . . . 1.67 111.727 -174.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 38.8 p -141.9 -169.98 3.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 2.84 110.625 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.442 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 12.8 p -59.12 -11.3 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-O 121.82 0.819 . . . . 2.73 112.263 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 65' ' ' ASP . 21.3 mm-40 -56.92 -23.13 42.82 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.908 -0.495 . . . . 4.0 110.708 176.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.582 ' HB3' ' CD2' ' B' ' 23' ' ' TYR . 14.1 t70 -69.51 -26.66 64.64 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.299 -0.41 . . . . 3.62 110.461 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m -65.51 -32.31 73.84 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.893 0.378 . . . . 3.28 110.007 173.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 65.5 m-20 -62.04 -32.56 73.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.168 -0.469 . . . . 3.46 110.722 175.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.493 ' O ' HD21 ' B' ' 68' ' ' LEU . 3.7 pp -109.23 27.97 8.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.354 -0.385 . . . . 2.39 111.489 176.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -29.44 109.07 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 123.935 1.826 . . . . 1.89 115.019 -165.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.865 ' O ' ' HG2' ' B' ' 70' ' ' GLN . 0.2 OUTLIER -128.31 -156.32 0.03 OUTLIER Pre-proline 0 C--N 1.299 -1.599 0 C-N-CA 130.482 3.513 . . . . 1.72 106.462 -166.12 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . 0.726 ' HD2' ' CD1' ' B' ' 68' ' ' LEU . 13.0 Cg_exo -26.0 20.18 0.0 OUTLIER 'Trans proline' 0 CA--C 1.563 1.944 0 C-N-CA 124.928 3.752 . . . . 3.2 116.531 149.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . 0.865 ' HG2' ' O ' ' B' ' 68' ' ' LEU 0.26 1.9 pt20 -61.64 -168.18 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 106.106 -1.813 . . . . 3.24 106.106 163.263 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' B' ' 24' ' ' ALA 0.287 0.3 OUTLIER -56.93 127.69 33.09 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 122.25 2.296 . . . . 1.98 108.727 -157.802 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.608 HD13 ' O ' ' B' ' 70' ' ' GLN . 1.1 mp -91.64 -34.31 0.35 Allowed Pre-proline 0 C--O 1.181 -2.545 0 CA-C-N 112.834 -1.985 . . . . 2.33 115.398 -176.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.646 ' HG2' ' CG ' ' B' ' 28' ' ' PHE . 0.1 OUTLIER -30.54 -36.12 0.04 OUTLIER 'Trans proline' 0 CA--C 1.55 1.323 0 C-N-CA 123.105 2.537 . . . . 1.23 116.12 -170.368 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 72' ' ' LEU . 1.3 tm-20 -80.76 -55.87 4.53 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 118.211 0.459 . . . . 2.27 109.944 171.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.576 ' HB ' ' HG ' ' B' ' 72' ' ' LEU . 55.5 mt -44.51 -51.76 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-O 121.536 0.684 . . . . 2.04 110.874 169.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.637 ' CE2' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -62.94 -44.62 95.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 114.867 -1.061 . . . . 3.08 110.488 -177.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' B' ' 73' ' ' PRO . 10.7 tp10 -53.96 -27.33 30.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.738 0.78 . . . . 2.51 109.614 178.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.75 -59.51 2.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.759 -1.11 . . . . 1.24 111.502 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.31 -35.07 67.13 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.107 0.479 . . . . 1.47 111.433 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.467 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . . . -69.51 -40.21 77.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.417 -0.811 . . . . 1.7 111.767 -174.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.8 p -82.73 -31.56 28.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 2.49 111.54 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.61 55.28 4.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 2.63 112.435 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.41 -0.805 . . . . 4.9 109.92 179.103 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.924 0.392 . . . . 2.4 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 26.4 p-10 -73.82 -18.75 60.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.089 0.471 . . . . 2.52 110.349 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -71.21 -23.42 62.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.74 -0.663 . . . . 2.39 112.409 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 15.5 ptmt -87.06 -20.71 26.77 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.901 -0.32 . . . . 1.98 110.576 174.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.39 -40.03 52.03 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.495 -0.928 . . . . 3.0 108.495 172.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.9 -42.59 98.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.618 -1.173 . . . . 1.28 109.418 168.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.717 ' HB3' ' C ' ' A' ' 58' ' ' GLY . . . -59.33 -46.33 88.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.98 -1.009 . . . . 1.42 110.932 175.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.524 ' CE1' ' HA ' ' A' ' 64' ' ' SER . 86.9 t80 -51.88 -41.39 61.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.275 -0.875 . . . . 3.42 110.293 178.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.537 ' CB ' ' HB2' ' A' ' 72' ' ' LEU . . . -55.38 -45.54 76.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.398 -0.819 . . . . 1.62 111.683 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.54 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 46.3 mt -75.49 -44.91 40.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 114.856 -1.065 . . . . 1.54 111.048 -170.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.476 HD11 HG21 ' A' ' 59' ' ' VAL . 7.0 mt -64.69 -46.77 91.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 C-N-CA 120.186 -0.605 . . . . 1.37 110.258 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -60.95 -64.94 0.78 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.908 0.706 . . . . 1.68 112.908 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.592 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 34.5 t80 -58.21 -51.78 68.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.132 0.492 . . . . 2.76 111.172 -174.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 25' ' ' ILE . 11.1 mp -61.0 -29.75 69.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.57 -0.741 . . . . 1.28 111.743 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 25.6 t-80 -72.66 -42.44 64.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.652 0.263 . . . . 1.62 110.539 177.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.18 -44.35 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.895 0.379 . . . . 1.98 110.296 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 -37.07 76.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.993 -0.548 . . . . 1.92 109.994 175.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -60.5 -38.7 85.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.512 -0.767 . . . . 1.76 110.753 -178.424 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -83.25 -12.57 56.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.225 -0.443 . . . . 4.02 110.905 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -97.86 -28.98 13.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.818 0.342 . . . . 3.46 111.557 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.427 ' HA2' ' OE1' ' A' ' 43' ' ' GLN . . . 86.67 43.19 6.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.823 -0.703 . . . . 0.58 111.931 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.74 -46.03 71.06 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.156 -0.545 . . . . 0.52 113.47 -175.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.463 ' HG ' ' HB2' ' B' ' 56' ' ' ALA . 4.4 mm? -89.25 -100.23 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.92 0.341 . . . . 1.21 111.92 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 t -142.3 164.23 30.69 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.254 -0.276 . . . . 1.7 110.254 -176.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 47.3 m -60.58 -57.14 14.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.179 0.437 . . . . 1.97 112.179 -173.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.08 -34.23 77.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 2.2 110.41 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -58.89 -40.1 83.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.616 -0.72 . . . . 1.13 110.769 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 40' ' ' SER . 18.9 mt-30 -53.88 -68.02 0.21 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.572 -0.74 . . . . 1.74 111.36 178.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.97 -34.51 59.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.855 -0.612 . . . . 2.36 111.882 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 70.9 m -66.72 -33.84 76.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.458 0.17 . . . . 1.64 111.458 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.475 ' HB2' HD22 ' A' ' 33' ' ' LEU . 20.2 mt -69.07 -29.03 67.06 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.627 -0.429 . . . . 1.81 110.776 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.19 -39.51 92.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.203 -0.665 . . . . 1.76 109.203 175.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.1 t -65.61 -47.88 84.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.57 -0.741 . . . . 1.23 109.749 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' B' ' 49' ' ' ALA . . . -57.33 -46.6 83.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.267 -0.879 . . . . 1.12 111.419 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.35 -45.44 81.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.836 -0.62 . . . . 1.35 111.676 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -76.69 -37.44 56.13 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.789 -0.364 . . . . 1.84 111.808 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.471 ' HB3' ' O ' ' B' ' 45' ' ' SER . 76.0 m -64.53 -38.65 91.75 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.457 0.646 . . . . 1.01 109.503 174.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.45 -51.58 68.87 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.407 -0.815 . . . . 1.37 109.463 170.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.919 ' HA ' ' O ' ' A' ' 57' ' ' PHE . 5.7 tt0 -57.11 -22.91 43.28 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.857 0.723 . . . . 1.65 110.844 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 m -64.37 -45.57 87.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.159 -0.473 . . . . 1.75 110.338 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.464 ' HB2' ' HG ' ' B' ' 38' ' ' LEU . . . -68.98 -73.07 0.16 Allowed 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.334 -0.987 . . . . 1.47 108.334 170.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.919 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 3.5 p90 -138.6 -49.68 0.54 Allowed 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 108.369 -0.974 . . . . 2.33 108.369 157.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.717 ' C ' ' HB3' ' A' ' 22' ' ' ALA . . . 54.26 -33.83 0.01 OUTLIER Glycine 0 C--O 1.217 -0.913 0 CA-C-N 114.039 -1.437 . . . . 2.72 113.284 -164.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.557 HG21 ' O ' ' A' ' 58' ' ' GLY . 2.7 t -176.85 -162.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 129.82 3.248 . . . . 1.67 103.158 158.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.9 p -135.39 159.42 41.63 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.193 -1.41 . . . . 2.84 107.193 146.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.84 -24.76 35.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.32 0.581 . . . . 2.74 110.949 -172.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.3 -26.26 66.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.698 -0.683 . . . . 4.01 111.494 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.678 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 8.9 t70 -78.54 -33.86 47.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 3.62 109.72 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.524 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 26.6 t -63.59 -24.52 67.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.539 -0.755 . . . . 3.27 109.511 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.45 -35.07 58.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.247 -0.888 . . . . 3.46 111.14 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 4.0 pp -76.14 -48.14 21.71 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.365 -0.534 . . . . 2.39 110.263 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.51 ' N ' HD13 ' A' ' 66' ' ' LEU . . . 49.49 115.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.516 0.932 . . . . 1.89 113.516 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.5 156.27 89.06 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.707 -0.679 . . . . 1.72 110.27 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -43.63 -50.18 7.25 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.181 2.587 . . . . 3.19 112.87 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -118.26 166.73 12.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 3.24 109.712 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.2 p -77.64 141.12 39.63 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.563 0.696 . . . . 1.99 110.168 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.537 ' HB2' ' CB ' ' A' ' 24' ' ' ALA . 3.2 mm? -64.04 -40.41 53.73 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 114.956 -1.02 . . . . 2.33 112.752 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.592 ' CG ' ' HB2' ' A' ' 28' ' ' PHE . 84.5 Cg_exo -45.86 -35.21 13.45 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.186 1.924 . . . . 1.23 113.071 171.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.44 -39.59 74.28 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.199 0.523 . . . . 2.28 110.146 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.0 mt -66.63 -35.34 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.289 0.566 . . . . 2.04 109.763 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 1.666 ' HE2' ' CE1' ' A' ' 76' ' ' PHE . 14.3 m-30 -73.96 -16.84 61.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.762 -0.653 . . . . 3.08 110.37 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 12.7 tp10 -78.64 -41.27 31.91 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.59 -0.732 . . . . 2.52 109.919 175.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.08 -49.95 7.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.941 -0.572 . . . . 1.24 112.204 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.56 -49.78 6.12 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.293 0.479 . . . . 1.47 112.293 -173.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 76' ' ' PHE . . . -67.52 -5.98 17.66 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.846 0.684 . . . . 1.7 112.846 -172.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -20.47 64.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.82 0.343 . . . . 2.49 111.211 177.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.74 -154.21 10.46 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.331 -0.708 . . . . 2.64 111.331 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.0 tttp . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.475 -0.774 . . . . 4.9 109.791 175.645 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.767 0.317 . . . . 4.05 110.283 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.38 104.04 4.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.148 -0.478 . . . . 2.42 110.939 -178.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 26.7 p-10 -73.8 -18.78 60.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.191 -0.458 . . . . 2.52 110.368 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -71.04 -23.98 62.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.68 -0.691 . . . . 2.39 112.228 -173.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.465 ' HA ' ' HB2' ' B' ' 22' ' ' ALA . 15.6 ptmt -86.48 -20.87 27.44 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.901 -0.32 . . . . 1.97 110.658 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.44 -39.93 52.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.503 -0.925 . . . . 3.01 108.503 172.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.9 -42.59 98.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.554 -1.203 . . . . 1.27 109.374 168.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.63 ' HB3' ' C ' ' B' ' 58' ' ' GLY . . . -59.42 -46.21 89.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.084 -0.962 . . . . 1.42 110.864 175.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.525 ' CE1' ' HA ' ' B' ' 64' ' ' SER . 86.6 t80 -51.73 -41.58 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.243 -0.89 . . . . 3.41 110.301 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.54 ' CB ' ' HB2' ' B' ' 72' ' ' LEU . . . -55.33 -45.54 76.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.433 -0.803 . . . . 1.62 111.69 177.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 46.1 mt -75.46 -45.07 40.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.848 -1.069 . . . . 1.54 111.038 -170.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.497 HD11 HG21 ' B' ' 59' ' ' VAL . 7.0 mt -64.54 -46.82 91.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 C-N-CA 120.317 -0.553 . . . . 1.37 110.266 175.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -60.98 -65.09 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.868 0.692 . . . . 1.67 112.868 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . 0.596 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 34.9 t80 -58.19 -51.61 69.03 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.051 0.453 . . . . 2.76 111.236 -174.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' B' ' 25' ' ' ILE . 11.1 mp -61.02 -29.96 70.02 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.669 -0.696 . . . . 1.28 111.712 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' B' ' 26' ' ' ILE . 25.5 t-80 -72.46 -42.5 64.92 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.718 0.294 . . . . 1.63 110.616 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.21 -44.25 84.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 1.98 110.334 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -37.04 76.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 1.93 110.022 175.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -60.58 -38.86 85.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 1.76 110.693 -178.466 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -83.13 -12.53 56.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.322 -0.399 . . . . 4.03 111.084 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -97.9 -28.92 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.725 0.298 . . . . 3.47 111.58 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLY . . . . . 0.431 ' HA2' ' OE1' ' B' ' 43' ' ' GLN . . . 86.93 42.38 6.36 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.724 -0.75 . . . . 0.58 112.123 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.12 -46.46 72.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.131 -0.557 . . . . 0.53 113.293 -175.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.464 ' HG ' ' HB2' ' A' ' 56' ' ' ALA . 4.4 mm? -88.87 -101.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.603 -0.351 . . . . 1.21 111.796 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.9 t -140.24 164.95 28.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.441 -0.207 . . . . 1.7 110.441 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' SER . . . . . 0.568 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 44.6 m -60.96 -57.27 13.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.206 0.447 . . . . 1.96 112.206 -174.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.97 -34.37 78.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.473 . . . . 2.21 110.403 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.469 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -58.56 -40.23 82.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.624 -0.716 . . . . 1.13 110.796 175.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.568 ' HB2' ' O ' ' B' ' 40' ' ' SER . 18.8 mt-30 -54.07 -67.43 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.704 -0.68 . . . . 1.74 111.384 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.51 -34.24 61.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.96 -0.564 . . . . 2.36 111.91 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 70.5 m -66.87 -33.77 76.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.504 0.187 . . . . 1.64 111.504 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 20.4 mt -69.12 -28.9 66.88 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.661 -0.416 . . . . 1.81 110.753 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.3 -39.53 93.29 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.285 -0.635 . . . . 1.75 109.285 175.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.3 t -65.55 -47.98 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.56 -0.745 . . . . 1.23 109.727 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . . . -57.29 -46.58 83.02 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.299 -0.864 . . . . 1.13 111.373 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 46.7 mt -56.28 -45.63 81.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.887 -0.597 . . . . 1.36 111.609 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.68 -37.27 56.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.882 -0.327 . . . . 1.84 111.837 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 45' ' ' SER . 76.6 m -64.63 -38.67 91.8 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.583 0.706 . . . . 1.01 109.483 174.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.45 -51.77 68.1 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.4 -0.818 . . . . 1.37 109.366 170.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . 0.898 ' HA ' ' O ' ' B' ' 57' ' ' PHE . 5.8 tt0 -57.11 -22.85 42.88 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.932 0.77 . . . . 1.66 110.737 -177.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -64.37 -45.26 88.48 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.182 -0.463 . . . . 1.75 110.173 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.463 ' HB2' ' HG ' ' A' ' 38' ' ' LEU . . . -70.76 -70.21 0.32 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.778 -0.823 . . . . 1.47 108.778 171.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' PHE . . . . . 0.898 ' O ' ' HA ' ' B' ' 54' ' ' GLU . 2.6 p90 -142.29 -39.64 0.36 Allowed 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.964 -0.562 . . . . 2.32 110.202 153.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . 0.63 ' C ' ' HB3' ' B' ' 22' ' ' ALA . . . 34.71 -13.36 0.0 OUTLIER Glycine 0 C--N 1.309 -0.945 0 CA-C-N 112.879 -1.964 . . . . 2.73 115.906 -161.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.626 HG21 ' O ' ' B' ' 58' ' ' GLY . 2.7 t -179.7 -164.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.023 1 C-N-CA 132.506 4.323 . . . . 1.67 102.744 151.217 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.6 p -133.15 160.29 37.67 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.568 -1.253 . . . . 2.84 107.935 142.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.64 -24.96 35.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 118.583 0.629 . . . . 2.73 110.933 -172.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.08 -26.39 66.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.704 -0.68 . . . . 4.0 111.486 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.66 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 9.0 t70 -78.37 -33.82 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.519 0.676 . . . . 3.62 109.739 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.525 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 29.5 t -63.59 -24.66 67.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 3.28 109.351 174.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -76.2 -34.92 59.28 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.222 -0.899 . . . . 3.46 111.085 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 4.0 pp -77.7 -44.83 26.67 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.008 -0.677 . . . . 2.39 110.628 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.502 ' N ' HD13 ' B' ' 66' ' ' LEU . . . 47.2 115.71 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.747 1.018 . . . . 1.89 113.747 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.39 156.36 88.63 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.775 -0.648 . . . . 1.72 110.412 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -44.18 -49.4 8.7 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.034 2.49 . . . . 3.2 112.939 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -118.56 166.78 12.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.65 -0.5 . . . . 3.24 109.65 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.1 p -77.81 144.02 37.42 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.561 0.696 . . . . 1.98 109.707 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.54 ' HB2' ' CB ' ' B' ' 24' ' ' ALA . 3.3 mm? -66.51 -39.97 29.79 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.882 -1.053 . . . . 2.33 112.7 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.596 ' CG ' ' HB2' ' B' ' 28' ' ' PHE . 83.9 Cg_exo -45.79 -35.24 13.24 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.154 1.903 . . . . 1.23 113.081 171.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.55 -39.49 73.94 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.173 0.511 . . . . 2.27 110.072 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.73 -35.3 74.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.376 0.608 . . . . 2.04 109.823 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 1.626 ' HE1' ' CE2' ' B' ' 76' ' ' PHE . 14.3 m-30 -73.78 -17.5 61.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.678 -0.692 . . . . 3.08 110.347 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . 0.44 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 12.3 tp10 -78.1 -41.22 35.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.542 -0.754 . . . . 2.51 110.018 175.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.25 -50.12 7.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.968 -0.56 . . . . 1.24 112.141 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.16 -50.14 6.0 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.395 0.517 . . . . 1.47 112.395 -173.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' B' ' 76' ' ' PHE . . . -65.2 -9.5 23.97 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.949 0.722 . . . . 1.7 112.949 -173.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -19.76 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.706 0.288 . . . . 2.49 111.251 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.87 -154.53 10.81 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.445 -0.662 . . . . 2.63 111.445 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.319 -0.848 . . . . 4.9 109.774 175.447 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.2 mmt . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.958 0.408 . . . . 4.05 110.545 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -82.31 76.23 9.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.093 -0.503 . . . . 2.4 110.829 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.617 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 17.5 p-10 -70.62 -20.28 62.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 2.52 109.518 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.46 -27.25 69.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.333 -0.849 . . . . 2.39 111.154 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.487 ' HE3' ' OD2' ' A' ' 63' ' ' ASP . 18.6 mtmt -66.45 -49.42 66.75 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.544 0.688 . . . . 1.98 109.331 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -62.4 -38.68 90.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.473 -1.239 . . . . 3.0 109.725 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.7 tp -53.83 -55.53 25.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.477 -0.783 . . . . 1.28 110.337 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -61.33 -52.89 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.735 -0.666 . . . . 1.42 111.503 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.602 ' OH ' ' HB2' ' A' ' 64' ' ' SER . 77.5 t80 -67.74 -39.1 84.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.147 0.425 . . . . 3.42 112.147 -172.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.08 83.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.089 0.471 . . . . 1.62 110.148 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.9 mt -68.66 -39.81 80.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.675 -0.693 . . . . 1.54 110.025 173.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 22' ' ' ALA . 41.2 mt -53.42 -47.08 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.209 -0.45 . . . . 1.37 111.055 174.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -64.07 -49.83 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 1.68 111.379 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.424 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 68.6 t80 -63.74 -44.79 92.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.246 -0.434 . . . . 2.76 110.695 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.503 ' CD2' HD12 ' A' ' 46' ' ' LEU . 7.5 mp -67.18 -32.32 73.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 1.28 111.034 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.44 -53.98 51.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.539 . . . . 1.62 110.767 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.91 -23.43 41.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.936 -0.575 . . . . 1.98 111.187 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.35 -37.81 83.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.073 -0.714 . . . . 1.92 109.073 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -47.18 87.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.948 -1.024 . . . . 1.76 109.529 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -64.28 -40.05 95.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.395 -0.82 . . . . 4.02 110.767 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -72.75 -22.21 60.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.111 -0.495 . . . . 3.46 111.199 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.85 38.79 18.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.091 -0.576 . . . . 0.58 112.274 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.31 -48.58 85.45 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.096 -0.574 . . . . 0.52 112.562 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 38' ' ' LEU . 2.9 mm? -86.13 -176.22 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.858 0.361 . . . . 1.21 110.428 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 m -83.14 173.66 11.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.223 -0.444 . . . . 1.7 110.146 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -57.0 -59.69 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.758 0.281 . . . . 1.97 111.758 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.55 -36.78 83.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.017 0.436 . . . . 2.2 110.411 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' B' ' 56' ' ' ALA . . . -61.89 -48.94 78.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.58 -0.736 . . . . 1.13 110.666 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.5 -58.15 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 1.74 111.584 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -48.95 -46.95 44.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.392 -0.822 . . . . 2.36 111.93 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 t -67.18 -37.2 83.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.455 0.645 . . . . 1.64 110.076 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.503 HD12 ' CD2' ' A' ' 29' ' ' LEU . 28.6 tp -64.67 -37.87 89.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.358 -0.837 . . . . 1.81 110.888 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.07 -42.47 98.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 1.76 110.036 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.94 -43.2 98.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.766 -0.652 . . . . 1.23 109.751 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.38 80.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.744 -0.662 . . . . 1.12 111.242 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 46' ' ' LEU . 85.4 mt -54.88 -54.59 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 1.35 111.043 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -66.91 -28.23 68.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 1.84 111.249 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.5 m -74.64 -42.11 59.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.368 -0.378 . . . . 1.01 110.475 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.81 -40.14 94.21 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.734 0.302 . . . . 1.37 110.589 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -56.29 -48.02 77.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 1.65 110.358 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 m -76.24 -31.03 58.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.699 -0.682 . . . . 1.75 111.294 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' B' ' 42' ' ' ALA . . . -63.44 -59.19 4.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 1.47 111.86 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 1.642 ' HE2' ' CE1' ' A' ' 57' ' ' PHE . 67.9 m-85 -77.63 -7.39 56.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.032 0.444 . . . . 2.33 110.807 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.06 31.87 72.61 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.744 -0.662 . . . . 2.72 111.931 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.3 m -94.85 163.03 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.792 0.329 . . . . 1.67 110.74 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 p -142.47 -172.04 3.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.907 -0.588 . . . . 2.84 110.282 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.7 p -74.78 -6.23 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.842 0.83 . . . . 2.74 110.09 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.22 -25.44 67.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.083 -0.71 . . . . 4.01 109.083 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.487 ' OD2' ' HE3' ' A' ' 19' ' ' LYS . 9.1 m-20 -72.89 -10.43 59.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.293 -0.867 . . . . 3.62 110.264 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.602 ' HB2' ' OH ' ' A' ' 23' ' ' TYR . 22.6 t -80.56 -33.1 36.41 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.173 -0.677 . . . . 3.27 109.173 173.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.71 -35.6 80.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.748 -0.66 . . . . 3.46 110.24 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 pp -104.09 23.7 12.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 2.39 110.976 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' ' 64' ' ' SER . . . -61.11 144.63 53.19 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.999 0.428 . . . . 1.89 111.106 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.2 mt -79.41 150.21 73.31 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.876 -0.602 . . . . 1.72 110.16 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -40.04 -51.05 3.26 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.92 3.08 . . . . 3.19 113.704 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.88 154.74 26.98 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.106 -0.701 . . . . 3.24 109.106 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.6 p -71.76 140.15 49.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.444 0.64 . . . . 1.99 109.375 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 56.4 mt -63.67 -37.7 31.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.031 -0.986 . . . . 2.33 113.544 -172.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.518 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 58.2 Cg_exo -45.09 -37.46 12.92 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.0 1.8 . . . . 1.23 113.142 171.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.11 -48.7 79.0 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.163 0.506 . . . . 2.28 110.244 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.44 -37.95 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.682 -0.69 . . . . 2.04 110.212 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 13.1 m-30 -66.29 -36.46 83.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 3.08 110.648 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.622 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 42.8 mt-10 -66.85 -20.56 65.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 2.52 110.955 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.94 -59.77 2.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.349 -0.387 . . . . 1.24 111.156 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.07 -40.3 68.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.084 0.772 . . . . 1.47 113.084 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.46 -30.12 42.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.892 0.377 . . . . 1.7 111.196 -175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -80.72 -29.04 36.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.262 0.553 . . . . 2.49 110.638 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.81 98.49 0.49 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.982 -0.628 . . . . 2.64 111.923 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HB2' ' HZ2' ' A' ' 83' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.654 -0.688 . . . . 4.9 109.893 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 21.2 mmt . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.933 0.397 . . . . 4.05 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.34 77.13 9.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.149 0.5 . . . . 2.42 110.767 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.622 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 17.3 p-10 -71.2 -20.14 62.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.968 -0.56 . . . . 2.52 109.612 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.53 -27.3 69.17 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.207 -0.906 . . . . 2.39 111.163 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.502 ' HE3' ' OD2' ' B' ' 63' ' ' ASP . 18.7 mtmt -66.35 -49.46 66.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 121.673 0.749 . . . . 1.97 109.379 175.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -62.36 -38.6 90.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.492 -1.231 . . . . 3.01 109.836 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 28.6 tp -53.87 -55.51 26.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.475 -0.784 . . . . 1.27 110.299 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.436 ' O ' HG13 ' B' ' 26' ' ' ILE . . . -61.34 -52.96 62.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.667 -0.697 . . . . 1.42 111.432 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.609 ' OH ' ' HB2' ' B' ' 64' ' ' SER . 77.5 t80 -67.72 -39.07 84.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.199 0.444 . . . . 3.41 112.199 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.01 82.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 1.62 110.179 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 32.4 mt -68.77 -39.87 80.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.55 -0.75 . . . . 1.54 109.85 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.436 HG13 ' O ' ' B' ' 22' ' ' ALA . 41.4 mt -53.41 -47.02 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.309 -0.405 . . . . 1.37 111.055 174.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -64.15 -49.66 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 1.67 111.491 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 0.418 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 68.9 t80 -63.96 -44.47 92.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.123 -0.489 . . . . 2.76 110.816 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.505 ' CD2' HD12 ' B' ' 46' ' ' LEU . 7.5 mp -67.39 -32.4 73.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 1.28 110.933 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -56.38 -53.97 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.528 . . . . 1.63 110.734 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.87 -23.33 41.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 1.98 111.324 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.56 -37.69 83.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.016 -0.735 . . . . 1.93 109.016 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -46.97 88.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.874 -1.057 . . . . 1.76 109.625 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -64.74 -39.66 94.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.281 -0.872 . . . . 4.03 110.696 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -73.24 -21.9 60.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.095 -0.502 . . . . 3.47 111.066 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.73 38.58 19.81 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.078 -0.582 . . . . 0.58 112.345 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.28 -48.41 86.28 Favored Glycine 0 C--N 1.329 0.161 0 C-N-CA 121.023 -0.608 . . . . 0.53 112.554 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.432 ' N ' HD23 ' B' ' 38' ' ' LEU . 2.9 mm? -85.97 -175.91 5.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.756 0.313 . . . . 1.21 110.476 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.4 m -83.52 173.66 11.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.323 -0.399 . . . . 1.7 110.001 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -57.1 -59.46 5.04 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.815 0.302 . . . . 1.96 111.815 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.47 -36.98 84.18 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.983 0.421 . . . . 2.21 110.39 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 56' ' ' ALA . . . -61.79 -49.02 78.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.458 -0.792 . . . . 1.13 110.629 177.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -55.47 -58.19 8.8 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.892 -0.594 . . . . 1.74 111.604 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -48.75 -46.88 41.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.407 -0.815 . . . . 2.36 112.045 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -67.29 -37.25 83.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.457 0.646 . . . . 1.64 110.055 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.505 HD12 ' CD2' ' B' ' 29' ' ' LEU . 28.5 tp -64.57 -37.88 89.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.323 -0.853 . . . . 1.81 110.911 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.2 -42.33 98.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.074 -0.512 . . . . 1.75 110.036 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.07 -43.04 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.828 -0.624 . . . . 1.23 109.764 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.68 -44.3 81.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.649 . . . . 1.13 111.173 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 46' ' ' LEU . 85.3 mt -54.81 -54.63 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.073 0.464 . . . . 1.36 111.068 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.69 -28.52 68.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.646 -0.706 . . . . 1.84 111.246 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.1 m -74.71 -41.93 59.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.336 -0.393 . . . . 1.01 110.404 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.75 -40.3 94.63 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.877 0.37 . . . . 1.37 110.596 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.17 -48.33 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.691 -0.686 . . . . 1.66 110.231 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -75.88 -31.45 59.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.704 -0.68 . . . . 1.75 111.189 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -63.16 -59.19 5.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.934 -0.576 . . . . 1.47 111.756 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 1.65 ' HD2' ' CD1' ' B' ' 57' ' ' PHE . 68.0 m-85 -77.59 -7.53 56.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.039 0.447 . . . . 2.32 110.833 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.2 31.88 72.16 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.755 -0.657 . . . . 2.73 111.882 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.9 162.42 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.76 0.314 . . . . 1.67 110.851 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 31.6 p -141.62 -171.91 3.42 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.93 -0.577 . . . . 2.84 110.363 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 p -74.65 -6.25 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.944 0.878 . . . . 2.73 110.339 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.28 -25.4 67.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.1 -0.704 . . . . 4.0 109.1 172.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.502 ' OD2' ' HE3' ' B' ' 19' ' ' LYS . 8.9 m-20 -72.87 -10.49 59.85 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.173 -0.921 . . . . 3.62 110.261 175.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.609 ' HB2' ' OH ' ' B' ' 23' ' ' TYR . 22.8 t -80.57 -33.17 36.28 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.115 -0.698 . . . . 3.28 109.115 173.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.61 -35.65 80.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.721 -0.672 . . . . 3.46 110.303 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 pp -103.98 23.38 13.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 2.39 111.012 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' B' ' 64' ' ' SER . . . -60.82 144.76 51.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 1.89 111.109 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 89.8 mt -79.58 150.25 72.82 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.87 -0.605 . . . . 1.72 110.248 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -40.62 -49.92 4.02 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.96 3.106 . . . . 3.2 113.846 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -114.71 154.77 27.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.02 -0.733 . . . . 3.24 109.02 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 36.7 p -71.84 143.63 49.38 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.878 -0.786 . . . . 1.98 108.878 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 56.4 mt -66.57 -37.35 14.97 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.104 -0.953 . . . . 2.33 113.292 -171.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.517 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 60.6 Cg_exo -45.01 -37.43 12.5 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.064 1.843 . . . . 1.23 113.206 171.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.21 -48.72 78.74 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.105 0.479 . . . . 2.27 110.231 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.4 -38.05 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.63 -0.714 . . . . 2.04 110.189 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 13.2 m-30 -66.17 -36.59 83.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.018 -0.537 . . . . 3.08 110.559 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.617 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 43.1 mt-10 -66.65 -21.86 66.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 2.51 110.866 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.81 -60.5 1.94 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.036 0.446 . . . . 1.24 111.406 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.93 -40.21 68.9 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.12 0.785 . . . . 1.47 113.12 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.43 -30.25 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.822 0.344 . . . . 1.7 111.211 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -80.73 -28.72 36.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.154 0.502 . . . . 2.49 110.659 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.97 98.52 0.48 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.885 -0.674 . . . . 2.63 111.951 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.461 ' HB2' ' HZ2' ' B' ' 83' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.658 -0.687 . . . . 4.9 109.853 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.21 -0.292 . . . . 4.05 110.21 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 51.9 m-20 -114.36 78.11 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.034 0.445 . . . . 2.4 110.95 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.549 ' CG ' ' HA ' ' B' ' 81' ' ' THR . 8.2 t30 -78.13 -4.49 47.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.53 0.681 . . . . 2.52 109.672 177.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 22.6 mmtp -57.18 -28.53 62.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.007 -0.997 . . . . 2.39 111.073 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 16' ' ' ASP . 4.3 ptpp? -64.12 -47.18 80.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.429 . . . . 1.98 111.205 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.455 ' HD2' ' OD1' ' A' ' 17' ' ' ASN . 89.1 mtt180 -65.26 -29.84 70.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.3 0.571 . . . . 3.0 109.755 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.517 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 21.7 tp -59.01 -55.81 30.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.189 -0.914 . . . . 1.28 110.235 174.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -44.05 97.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.42 111.122 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.75 -51.72 59.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.767 -0.651 . . . . 3.42 111.356 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.519 ' CB ' ' HB2' ' A' ' 72' ' ' LEU . . . -65.33 -34.25 77.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.115 -0.493 . . . . 1.62 111.377 -177.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 21' ' ' LEU . 79.0 mt -63.37 -46.97 94.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.572 -0.74 . . . . 1.54 109.679 175.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -53.22 -46.25 56.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 1.37 110.52 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -62.91 -53.69 50.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.315 -0.857 . . . . 1.68 112.181 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.536 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 74.5 t80 -67.58 -48.52 66.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.808 0.337 . . . . 2.76 111.039 -176.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.592 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.3 mp -59.42 -33.56 71.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 1.28 111.041 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -55.3 -58.14 8.94 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.031 0.443 . . . . 1.62 110.902 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -40.25 70.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 1.98 111.235 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.12 -38.24 79.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.301 0.572 . . . . 1.92 110.438 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.674 HD22 ' O ' ' A' ' 43' ' ' GLN . 1.3 tm? -64.68 -44.31 90.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.396 -0.82 . . . . 1.76 110.214 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -81.12 -2.46 48.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.865 -0.607 . . . . 4.02 110.935 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -98.71 -5.72 30.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 3.46 110.256 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.74 37.92 61.17 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.98 -0.629 . . . . 0.58 112.166 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.11 -55.05 32.73 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.083 -0.58 . . . . 0.52 112.827 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 38' ' ' LEU . 3.0 mm? -92.5 -177.66 4.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.926 -0.161 . . . . 1.21 110.653 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -73.45 -179.75 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.69 -0.232 . . . . 1.7 110.906 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 t -64.87 -53.64 43.52 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.382 -0.198 . . . . 1.97 111.398 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.83 -42.99 94.76 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.174 0.512 . . . . 2.2 110.155 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' B' ' 56' ' ' ALA . . . -66.58 -34.59 78.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.104 -0.953 . . . . 1.13 110.939 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.674 ' O ' HD22 ' A' ' 33' ' ' LEU . 8.9 tt0 -58.44 -51.5 69.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 1.74 110.508 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.39 -32.15 69.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.816 -0.629 . . . . 2.36 110.585 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -73.82 -35.68 64.88 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.649 -0.705 . . . . 1.64 111.452 -175.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 50' ' ' ILE . 16.9 mt -61.58 -45.71 92.97 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 120.814 -0.354 . . . . 1.81 110.059 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.3 -46.69 69.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.526 -0.761 . . . . 1.76 110.587 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.09 -44.21 88.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 1.23 110.265 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.84 -38.63 79.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.964 -0.562 . . . . 1.12 111.547 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 46' ' ' LEU . 86.0 mt -56.85 -55.71 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.725 0.298 . . . . 1.35 110.737 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -61.95 -35.01 77.17 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.305 -0.407 . . . . 1.84 111.504 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.8 m -65.5 -49.25 69.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.566 -0.288 . . . . 1.01 110.903 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.25 -41.18 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.67 0.271 . . . . 1.37 110.807 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -56.47 -52.85 63.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.038 -0.528 . . . . 1.65 110.631 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 m -68.22 -31.99 71.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.697 -0.683 . . . . 1.75 111.308 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.645 ' O ' ' HB2' ' B' ' 42' ' ' ALA . . . -73.9 -43.45 58.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.084 -0.507 . . . . 1.47 112.158 -175.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 1.662 ' HD2' ' CD1' ' A' ' 57' ' ' PHE . 43.1 m-85 -82.84 -20.29 35.92 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.995 0.426 . . . . 2.33 110.82 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.61 32.77 40.49 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.759 -0.655 . . . . 2.72 111.836 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.96 158.36 8.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.723 0.297 . . . . 1.67 111.269 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 p -141.52 -170.45 3.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.944 -0.571 . . . . 2.84 110.017 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.3 p -63.18 -15.2 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.347 0.594 . . . . 2.74 110.934 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -63.07 -23.73 67.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.186 0.517 . . . . 4.01 110.198 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -71.54 -23.56 61.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.432 0.634 . . . . 3.62 109.385 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 t -71.93 -26.55 62.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.639 -0.71 . . . . 3.27 109.806 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.6 -41.06 93.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 3.46 110.038 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 pp -95.77 25.71 4.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.908 -0.587 . . . . 2.39 111.129 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.23 159.67 14.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.278 0.561 . . . . 1.89 111.76 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.0 mt -86.43 158.49 54.6 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.623 -0.717 . . . . 1.72 110.669 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -43.15 -49.79 6.92 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.197 2.598 . . . . 3.19 113.107 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -112.18 172.84 6.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.206 -0.452 . . . . 3.24 109.793 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.1 p -81.64 143.25 32.05 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.266 0.555 . . . . 1.99 110.068 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.519 ' HB2' ' CB ' ' A' ' 24' ' ' ALA . 3.5 mm? -69.07 -42.89 23.76 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.603 -0.726 . . . . 2.33 111.787 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.536 ' CG ' ' HB2' ' A' ' 28' ' ' PHE . 91.6 Cg_exo -42.53 -42.18 8.14 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.54 2.16 . . . . 1.23 112.709 170.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.4 -43.72 93.53 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.25 -0.432 . . . . 2.28 110.684 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.7 mt -63.5 -35.52 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.201 0.524 . . . . 2.04 110.059 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 19.3 m-30 -66.99 -27.06 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.694 -0.685 . . . . 3.08 111.056 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 46.2 mt-10 -84.21 -27.94 27.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.842 0.353 . . . . 2.52 110.727 178.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 81' ' ' THR . . . -89.58 -62.01 1.57 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.274 -0.421 . . . . 1.24 111.995 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.99 -44.9 11.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.877 0.37 . . . . 1.47 111.36 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 76' ' ' PHE . . . -72.25 -4.77 31.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.209 -0.451 . . . . 1.7 112.104 -175.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.573 ' HA ' ' CG ' ' B' ' 17' ' ' ASN . 6.4 t -76.23 -13.88 60.16 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.509 -0.476 . . . . 2.49 110.357 176.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.1 -87.21 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.909 -0.662 . . . . 2.64 111.928 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.172 -0.677 . . . . 4.9 109.172 179.327 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.295 -0.261 . . . . 4.05 110.295 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.514 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 53.5 m-20 -114.34 77.99 1.11 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.954 0.407 . . . . 2.42 110.932 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.573 ' CG ' ' HA ' ' A' ' 81' ' ' THR . 8.1 t30 -77.5 -5.41 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.613 0.72 . . . . 2.52 109.723 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 22.4 mmtp -56.42 -28.71 60.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.962 -1.017 . . . . 2.39 111.167 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 16' ' ' ASP . 4.3 ptpp? -64.07 -47.19 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 1.97 111.259 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.453 ' HD2' ' OD1' ' B' ' 17' ' ' ASN . 89.1 mtt180 -65.1 -30.0 70.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.398 0.618 . . . . 3.01 109.814 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.515 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 21.9 tp -58.85 -56.03 27.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.14 -0.936 . . . . 1.27 110.213 174.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.1 97.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 1.42 111.138 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.8 -51.61 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.745 -0.662 . . . . 3.41 111.364 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.536 ' CB ' ' HB2' ' B' ' 72' ' ' LEU . . . -65.34 -34.33 78.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.161 0.505 . . . . 1.62 111.341 -177.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.456 HG13 ' O ' ' B' ' 21' ' ' LEU . 79.2 mt -63.47 -46.82 94.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.462 -0.79 . . . . 1.54 109.687 175.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.25 -46.28 56.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.963 -0.562 . . . . 1.37 110.487 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -63.01 -53.6 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.321 -0.854 . . . . 1.67 112.19 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 0.538 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 74.6 t80 -67.59 -48.56 66.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.73 0.3 . . . . 2.76 111.025 -176.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.4 mp -59.28 -33.59 71.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 1.28 111.116 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -55.27 -58.27 8.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 1.63 110.913 176.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.12 -40.38 71.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 1.98 111.26 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.21 -38.14 79.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.253 0.549 . . . . 1.93 110.305 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.68 HD22 ' O ' ' B' ' 43' ' ' GLN . 1.3 tm? -64.76 -44.07 91.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.533 -0.758 . . . . 1.76 110.271 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -81.09 -2.88 50.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.927 -0.579 . . . . 4.03 111.076 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -98.41 -5.79 31.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 3.47 110.4 174.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.77 37.78 61.11 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.79 -0.641 . . . . 0.58 112.185 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.94 -54.9 33.78 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.207 -0.52 . . . . 0.53 112.844 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.417 ' N ' HD23 ' B' ' 38' ' ' LEU . 3.0 mm? -92.65 -177.49 4.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.471 0.177 . . . . 1.21 110.607 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -73.61 -179.77 3.72 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.658 -0.246 . . . . 1.7 110.941 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.7 t -64.79 -53.71 42.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.541 0.21 . . . . 1.96 111.35 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.83 -42.83 94.43 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.423 0.63 . . . . 2.21 110.151 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 56' ' ' ALA . . . -66.65 -34.58 78.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.031 -0.986 . . . . 1.13 111.027 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.68 ' O ' HD22 ' B' ' 33' ' ' LEU . 9.0 tt0 -58.65 -51.32 70.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.503 -0.771 . . . . 1.74 110.495 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.43 -32.19 69.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.89 -0.595 . . . . 2.36 110.646 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.1 t -73.74 -35.59 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.632 -0.713 . . . . 1.64 111.506 -175.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.532 ' O ' HG13 ' B' ' 50' ' ' ILE . 16.7 mt -61.7 -45.73 92.72 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.802 -0.359 . . . . 1.81 110.087 176.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.32 -46.59 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.455 -0.793 . . . . 1.75 110.616 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.07 -44.31 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.054 -0.521 . . . . 1.23 110.302 177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.61 78.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.915 -0.584 . . . . 1.13 111.601 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 46' ' ' LEU . 86.3 mt -56.79 -55.54 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.746 0.308 . . . . 1.36 110.789 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -62.02 -35.21 77.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 1.84 111.454 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.0 m -65.31 -49.26 70.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.489 -0.323 . . . . 1.01 110.912 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.24 -41.23 99.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.626 0.25 . . . . 1.37 110.835 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -56.46 -52.93 62.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.024 -0.534 . . . . 1.66 110.608 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -68.11 -32.11 72.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.744 -0.662 . . . . 1.75 111.248 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.616 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -73.79 -43.41 58.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.175 -0.466 . . . . 1.47 112.249 -175.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 1.65 ' HE2' ' CE1' ' B' ' 57' ' ' PHE . 43.0 m-85 -82.89 -20.18 35.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.077 0.465 . . . . 2.32 110.756 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.38 33.03 40.7 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.638 -0.71 . . . . 2.73 111.803 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.07 158.11 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.764 0.316 . . . . 1.67 111.251 -175.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -141.39 -171.1 3.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.843 -0.617 . . . . 2.84 110.058 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.7 p -62.64 -15.16 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.263 0.554 . . . . 2.73 111.004 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.16 -23.62 67.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.193 0.52 . . . . 4.0 110.325 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -71.5 -23.79 61.86 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.231 -0.655 . . . . 3.62 109.231 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 9.8 t -71.61 -26.94 62.79 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.752 -0.658 . . . . 3.28 109.739 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.1 -41.35 95.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.971 -0.559 . . . . 3.46 110.028 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -95.65 25.65 4.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 2.39 111.093 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 159.58 14.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.324 0.583 . . . . 1.89 111.761 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 92.8 mt -86.35 158.29 55.06 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.585 -0.734 . . . . 1.72 110.718 -178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -43.13 -49.38 7.2 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.205 2.603 . . . . 3.2 113.303 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -112.35 173.01 6.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 3.24 109.799 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 33.0 p -81.73 145.11 30.67 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.31 0.576 . . . . 1.98 109.843 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.536 ' HB2' ' CB ' ' B' ' 24' ' ' ALA . 3.5 mm? -70.55 -42.88 15.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.624 -0.716 . . . . 2.33 111.655 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.538 ' CG ' ' HB2' ' B' ' 28' ' ' PHE . 91.1 Cg_exo -42.6 -41.97 8.25 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.473 2.115 . . . . 1.23 112.706 170.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.51 -43.79 92.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 2.27 110.663 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 44.9 mt -63.38 -35.76 73.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.192 0.52 . . . . 2.04 110.021 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 19.3 m-30 -66.76 -27.5 67.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.642 -0.708 . . . . 3.08 110.987 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.2 mt-10 -83.36 -29.13 28.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.958 0.409 . . . . 2.51 110.8 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.423 ' O ' HG23 ' B' ' 81' ' ' THR . . . -88.05 -62.48 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.25 0.463 . . . . 1.24 112.25 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.97 -45.27 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.916 0.388 . . . . 1.47 111.391 -174.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' B' ' 76' ' ' PHE . . . -69.7 -9.46 54.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.011 -0.541 . . . . 1.7 112.193 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.549 ' HA ' ' CG ' ' A' ' 17' ' ' ASN . 6.0 t -73.23 -13.92 61.24 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.542 -0.463 . . . . 2.49 110.667 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.26 -87.12 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.798 -0.715 . . . . 2.63 112.059 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.094 -0.706 . . . . 4.9 109.094 179.325 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.929 -0.397 . . . . 4.05 109.929 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.81 114.72 17.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 2.4 110.601 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.15 -24.93 54.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.298 -0.41 . . . . 2.52 110.078 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -51.32 -46.67 62.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.833 -0.621 . . . . 2.39 111.645 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -71.09 -42.49 69.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.434 . . . . 1.98 111.453 -176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.79 -33.94 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.098 0.475 . . . . 3.0 110.615 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.1 tp -58.16 -50.35 73.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.605 -0.725 . . . . 1.28 110.492 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.47 ' HB3' ' CD1' ' A' ' 57' ' ' PHE . . . -61.31 -49.86 75.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 1.42 110.837 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 1.625 ' HE2' ' CE1' ' A' ' 23' ' ' TYR . 22.1 t80 -55.36 -48.15 74.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.815 -0.629 . . . . 3.42 111.622 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.485 ' HB1' HD22 ' A' ' 72' ' ' LEU . . . -58.9 -42.84 90.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.056 -0.52 . . . . 1.62 111.294 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.0 mt -69.32 -36.48 72.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.55 -0.75 . . . . 1.54 110.311 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 22' ' ' ALA . 52.0 mt -57.18 -49.64 79.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 1.37 110.928 174.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.486 ' O ' ' HB3' ' A' ' 30' ' ' HIS . 15.7 mm100 -71.33 -37.65 71.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 1.68 111.769 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.649 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 65.2 t80 -70.13 -48.27 58.19 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.697 -0.401 . . . . 2.76 110.547 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.675 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.5 mp -66.56 -23.92 66.28 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.299 -0.41 . . . . 1.28 110.559 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.486 ' HB3' ' O ' ' A' ' 27' ' ' GLN . 29.8 t-80 -57.6 -55.38 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.263 0.554 . . . . 1.62 110.72 173.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.15 -39.32 49.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.829 -0.623 . . . . 1.98 110.977 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -59.75 -30.5 68.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 1.92 110.385 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.675 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -64.0 -50.44 68.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 1.76 109.868 177.567 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -71.68 -25.33 62.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.72 . . . . 4.02 111.215 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -85.13 -10.93 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.738 0.304 . . . . 3.46 111.499 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.14 43.53 63.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.958 -0.639 . . . . 0.58 111.961 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.43 -45.55 92.84 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.426 -0.416 . . . . 0.52 113.542 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.77 -106.13 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.934 0.367 . . . . 1.21 111.57 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.509 ' H ' ' HB1' ' A' ' 42' ' ' ALA . 22.7 t -141.71 -177.12 5.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.669 -0.242 . . . . 1.7 110.363 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.5 t -65.63 -55.91 15.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.653 0.264 . . . . 1.97 111.061 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.04 -27.09 68.87 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.207 0.527 . . . . 2.2 110.53 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.509 ' HB1' ' H ' ' A' ' 39' ' ' SER . . . -72.67 -35.22 67.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.723 -0.672 . . . . 1.13 110.824 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.538 ' O ' HD22 ' A' ' 33' ' ' LEU . 15.9 mt-30 -57.97 -62.38 1.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.995 -0.548 . . . . 1.74 111.427 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.37 -34.78 58.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.938 -0.573 . . . . 2.36 111.271 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.2 m -67.46 -39.16 85.3 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.655 -0.248 . . . . 1.64 111.145 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.505 ' O ' HG13 ' A' ' 50' ' ' ILE . 36.3 mt -61.71 -48.51 80.43 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 110.075 -0.343 . . . . 1.81 110.075 177.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.16 -44.52 83.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 1.76 110.851 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.69 -45.11 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.374 -0.375 . . . . 1.23 110.45 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.56 92.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 1.12 111.37 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 46' ' ' LEU . 87.5 mt -55.92 -48.6 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.402 . . . . 1.35 110.448 177.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -67.89 -37.68 82.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.018 -0.537 . . . . 1.84 110.882 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.0 m -64.52 -47.73 77.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.398 . . . . 1.01 110.89 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.8 -31.45 72.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.605 -0.27 . . . . 1.37 110.716 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.68 -55.07 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 1.65 110.218 176.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.2 m -69.79 -30.16 67.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.456 . . . . 1.75 111.012 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.05 -61.76 2.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 1.47 111.74 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 22' ' ' ALA . 92.3 m-85 -79.97 -12.0 59.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.124 0.487 . . . . 2.33 110.883 -178.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.74 38.71 49.78 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.533 -0.758 . . . . 2.72 111.401 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.8 m -101.23 155.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.922 0.391 . . . . 1.67 111.456 -174.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.1 p -141.21 -170.81 3.14 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.637 -0.71 . . . . 2.84 109.745 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.83 -9.28 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.49 0.662 . . . . 2.74 110.673 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.18 -28.32 69.58 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.27 0.557 . . . . 4.01 110.025 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' HA ' ' HG ' ' A' ' 66' ' ' LEU . 7.1 t70 -69.39 -23.1 63.68 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 115.686 -0.688 . . . . 3.62 109.497 177.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 8.5 t -70.89 -31.87 68.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.89 -0.596 . . . . 3.27 109.986 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -68.39 -28.99 67.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.501 . . . . 3.46 110.852 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' HG ' ' HA ' ' A' ' 63' ' ' ASP . 3.7 pp -106.07 23.22 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.336 -0.393 . . . . 2.39 110.933 176.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.68 145.06 55.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 1.89 112.127 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.48 155.39 91.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.256 -0.884 . . . . 1.72 109.784 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -45.27 -48.1 11.86 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.813 3.009 . . . . 3.19 113.676 -173.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -120.49 169.44 10.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.658 -0.246 . . . . 3.24 110.412 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -69.56 140.13 53.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.263 0.554 . . . . 1.99 110.094 174.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.485 HD22 ' HB1' ' A' ' 24' ' ' ALA . 3.5 mm? -80.33 -35.38 0.88 Allowed Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.024 1.12 . . . . 2.33 114.024 -172.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.489 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 83.8 Cg_exo -48.33 -35.52 27.78 Favored 'Trans proline' 0 C--N 1.355 0.897 0 CA-C-N 121.068 1.417 . . . . 1.23 112.652 172.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.37 -43.94 80.18 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.975 0.417 . . . . 2.28 110.174 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.28 -40.55 78.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.864 -0.607 . . . . 2.04 110.159 173.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 73' ' ' PRO . 14.2 m-30 -61.9 -43.11 99.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.804 -0.634 . . . . 3.08 110.454 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 47.5 mt-10 -61.44 -26.96 68.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.94 0.4 . . . . 2.52 111.071 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.78 -49.03 7.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 1.24 111.818 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.55 -45.14 12.89 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.542 0.571 . . . . 1.47 112.542 -172.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -65.44 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.323 -0.399 . . . . 1.7 111.813 -171.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 t -85.95 5.14 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.906 0.384 . . . . 2.49 110.656 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.22 -22.3 63.28 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.893 -0.67 . . . . 2.64 112.249 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 119.108 -0.472 . . . . 4.9 110.236 179.839 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' B' ' 15' ' ' MET . 1.7 mpt? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.937 -0.394 . . . . 4.05 109.937 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.84 114.86 18.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.305 -0.407 . . . . 2.42 110.654 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -76.59 -24.74 53.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.302 -0.408 . . . . 2.52 109.976 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -51.31 -46.67 62.62 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.758 -0.655 . . . . 2.39 111.551 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -71.25 -42.36 68.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 1.97 111.438 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.88 -33.87 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.057 0.456 . . . . 3.01 110.577 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 17.9 tp -58.22 -50.24 74.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.632 -0.713 . . . . 1.27 110.393 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' B' ' 57' ' ' PHE . . . -61.45 -49.76 75.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.959 -0.564 . . . . 1.42 110.75 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 1.652 ' HE1' ' CE2' ' B' ' 23' ' ' TYR . 21.7 t80 -55.48 -48.09 75.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.875 -0.602 . . . . 3.41 111.562 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.495 ' HB1' HD22 ' B' ' 72' ' ' LEU . . . -58.95 -42.81 90.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.196 0.522 . . . . 1.62 111.295 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.41 -36.46 71.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.488 -0.778 . . . . 1.54 110.317 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.445 HG13 ' O ' ' B' ' 22' ' ' ALA . 51.4 mt -57.2 -49.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 1.37 110.934 174.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.484 ' O ' ' HB3' ' B' ' 30' ' ' HIS . 15.7 mm100 -71.38 -37.7 71.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.404 -0.362 . . . . 1.67 111.791 -176.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 1.619 ' HD2' ' CD1' ' B' ' 28' ' ' PHE . 65.5 t80 -70.1 -48.32 58.12 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.776 -0.37 . . . . 2.76 110.511 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.653 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.5 mp -66.57 -23.75 66.25 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.344 -0.389 . . . . 1.28 110.601 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' B' ' 27' ' ' GLN . 30.2 t-80 -57.77 -55.36 35.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.227 0.537 . . . . 1.63 110.697 173.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.05 -39.41 50.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.875 -0.602 . . . . 1.98 110.838 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -59.74 -30.49 68.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.173 0.511 . . . . 1.93 110.505 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.653 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 1.0 OUTLIER -63.93 -50.59 68.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.741 -0.663 . . . . 1.76 109.869 177.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -71.48 -25.36 62.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.552 -0.749 . . . . 4.03 111.187 -177.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -85.1 -11.21 55.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.712 0.291 . . . . 3.47 111.441 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.77 42.56 61.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.946 -0.645 . . . . 0.58 112.005 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.01 -45.31 92.49 Favored Glycine 0 C--N 1.329 0.182 0 C-N-CA 121.426 -0.416 . . . . 0.53 113.552 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.74 -107.12 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.857 0.328 . . . . 1.21 111.529 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.506 ' H ' ' HB1' ' B' ' 42' ' ' ALA . 22.2 t -140.17 -176.77 4.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.644 -0.253 . . . . 1.7 110.57 -177.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.7 t -65.84 -55.76 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.685 0.279 . . . . 1.96 111.021 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.11 -27.16 68.9 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.226 0.536 . . . . 2.21 110.543 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.506 ' HB1' ' H ' ' B' ' 39' ' ' SER . . . -72.56 -35.19 67.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.712 -0.676 . . . . 1.13 110.832 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.535 ' O ' HD22 ' B' ' 33' ' ' LEU . 15.9 mt-30 -58.14 -62.32 1.91 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.028 -0.533 . . . . 1.74 111.418 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -53.28 -34.85 58.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.065 -0.516 . . . . 2.36 111.357 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.6 m -67.19 -39.31 86.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.626 -0.261 . . . . 1.64 111.186 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.501 ' O ' HG13 ' B' ' 50' ' ' ILE . 35.6 mt -61.74 -48.44 80.69 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 110.098 -0.334 . . . . 1.81 110.098 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.15 -44.64 83.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 1.75 110.947 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 81.5 t -66.66 -45.07 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 1.23 110.45 177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.58 92.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.302 -0.408 . . . . 1.13 111.405 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 46' ' ' LEU . 88.0 mt -55.82 -48.61 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 1.36 110.517 177.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -67.81 -37.8 82.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 1.84 110.834 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.4 m -64.67 -47.48 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 1.01 110.922 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.97 -31.39 71.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.709 0.29 . . . . 1.37 110.679 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -58.76 -55.05 40.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 1.66 110.307 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.8 m -69.82 -30.11 67.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 1.75 110.926 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.0 -61.87 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 1.47 111.774 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' B' ' 22' ' ' ALA . 92.5 m-85 -80.05 -11.58 59.76 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.021 0.439 . . . . 2.32 110.851 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.49 38.81 51.65 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.62 -0.718 . . . . 2.73 111.386 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.1 m -101.49 155.79 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.093 0.473 . . . . 1.67 111.404 -174.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.2 p -141.25 -171.51 3.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.417 -0.811 . . . . 2.84 109.802 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.9 p -68.2 -9.27 10.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.524 0.678 . . . . 2.73 110.786 176.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.18 -28.28 69.56 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.302 0.572 . . . . 4.0 110.045 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.404 ' HA ' ' HG ' ' B' ' 66' ' ' LEU . 7.2 t70 -69.59 -22.98 63.47 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.631 -0.713 . . . . 3.62 109.439 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.407 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 8.6 t -70.87 -32.15 69.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.873 -0.603 . . . . 3.28 109.997 178.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -68.02 -29.11 68.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 3.46 110.822 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.404 ' HG ' ' HA ' ' B' ' 63' ' ' ASP . 3.7 pp -106.02 23.21 14.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.967 0.413 . . . . 2.39 110.886 176.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.57 144.89 55.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.856 -0.611 . . . . 1.89 112.226 -175.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.3 155.26 91.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.204 -0.907 . . . . 1.72 109.833 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -45.24 -47.83 12.13 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.832 3.021 . . . . 3.2 113.822 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -120.76 169.52 10.33 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.383 -0.228 . . . . 3.24 110.383 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.1 p -69.93 143.56 52.67 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.3 0.572 . . . . 1.98 109.576 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.495 HD22 ' HB1' ' B' ' 24' ' ' ALA . 3.5 mm? -82.68 -35.5 0.68 Allowed Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 113.82 1.044 . . . . 2.33 113.82 -172.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.487 ' HA ' ' CD2' ' B' ' 76' ' ' PHE . 81.0 Cg_exo -48.31 -35.35 27.2 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.401 1.401 . . . . 1.23 112.625 172.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.58 -43.9 79.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.874 0.368 . . . . 2.27 110.135 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mm -58.28 -40.52 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 115.948 -0.569 . . . . 2.04 110.218 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.487 ' CD2' ' HA ' ' B' ' 73' ' ' PRO . 14.3 m-30 -61.97 -43.03 99.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.806 -0.634 . . . . 3.08 110.427 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 47.8 mt-10 -61.55 -27.19 68.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.802 0.334 . . . . 2.51 110.997 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.34 -49.02 7.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.297 -0.41 . . . . 1.24 111.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.48 -45.19 12.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.407 0.521 . . . . 1.47 112.407 -172.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.1 -64.09 0.98 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.957 0.355 . . . . 1.7 111.957 -170.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.5 t -86.79 4.79 39.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.992 0.425 . . . . 2.49 110.638 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.09 -22.21 63.79 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.066 -0.588 . . . . 2.63 112.284 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.247 0.959 0 CA-C-O 119.113 -0.47 . . . . 4.9 110.158 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.781 0.324 . . . . 4.05 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -88.86 132.11 34.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.205 0.526 . . . . 2.4 110.234 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.47 HD22 ' HB1' ' B' ' 80' ' ' ALA . 22.2 t-20 -82.89 -35.18 26.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.547 -0.752 . . . . 2.52 111.259 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 3.1 mppt? -62.45 -32.67 73.58 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.552 0.575 . . . . 2.39 112.552 -170.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -65.46 -39.08 91.57 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.91 -0.316 . . . . 1.98 111.04 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' NH2' ' HA ' ' B' ' 81' ' ' THR . 35.4 mtm180 -74.72 -32.97 62.29 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.451 -0.574 . . . . 3.0 109.451 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.473 ' HB3' ' HA ' ' A' ' 18' ' ' LYS . 9.5 tp -54.31 -50.04 68.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.987 -1.006 . . . . 1.28 110.084 172.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.603 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -56.7 -53.38 58.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.534 -0.757 . . . . 1.42 111.116 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 29.9 t80 -55.33 -44.49 75.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 3.42 111.504 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.52 ' CB ' ' HB2' ' A' ' 72' ' ' LEU . . . -59.73 -42.46 93.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.169 0.509 . . . . 1.62 111.087 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 74.0 mt -69.94 -37.65 73.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.388 -0.824 . . . . 1.54 110.4 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 22' ' ' ALA . 61.5 mt -54.63 -49.42 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 1.37 110.547 174.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -68.6 -51.19 45.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.416 -0.357 . . . . 1.68 111.879 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.667 ' HE1' ' CE2' ' A' ' 28' ' ' PHE . 58.8 t80 -60.19 -48.72 80.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 2.76 110.933 -176.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.598 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.9 mp -69.26 -27.32 65.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.583 -0.28 . . . . 1.28 111.361 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 50.3 t-80 -67.13 -48.86 66.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.393 . . . . 1.62 110.21 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -69.36 -43.67 73.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.986 -0.552 . . . . 1.98 110.555 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.873 -0.603 . . . . 1.92 110.444 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 1.5 tm? -62.39 -52.83 62.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 1.76 109.782 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -69.13 -30.57 68.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 4.02 110.512 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -76.05 -24.79 55.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 3.46 111.048 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.64 39.74 8.07 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.154 -0.545 . . . . 0.58 112.279 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.91 -42.58 99.65 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.169 -0.539 . . . . 0.52 113.504 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.437 HD21 HD12 ' A' ' 46' ' ' LEU . 3.4 mm? -104.06 -173.96 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.815 0.307 . . . . 1.21 110.77 -177.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -77.65 -171.78 2.33 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.55 -0.296 . . . . 1.7 111.028 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.9 m -67.87 -58.81 3.96 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.104 0.409 . . . . 1.97 112.104 -173.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -62.84 -35.29 79.47 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.465 0.65 . . . . 2.2 109.847 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.14 -36.91 85.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.048 -0.978 . . . . 1.13 110.889 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.506 ' O ' HD22 ' A' ' 33' ' ' LEU . 25.4 tt0 -61.4 -51.26 69.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.627 . . . . 1.74 109.856 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.31 -37.98 73.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.527 -0.76 . . . . 2.36 110.432 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m -66.96 -31.8 72.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.583 -0.735 . . . . 1.64 111.812 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.522 ' HB2' HD21 ' A' ' 33' ' ' LEU . 20.3 mt -61.93 -53.34 57.07 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 121.04 -0.264 . . . . 1.81 110.662 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 39.5 tt0 -55.44 -44.84 76.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.941 -0.572 . . . . 1.76 110.827 -176.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.1 t -61.84 -47.72 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 1.23 110.509 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.52 96.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.017 -0.538 . . . . 1.12 111.393 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 46' ' ' LEU . 83.9 mt -56.19 -50.7 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 1.35 110.735 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 73.3 mm-40 -64.56 -37.17 86.63 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.215 0.531 . . . . 1.84 110.851 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 72.5 m -68.19 -48.18 65.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.817 -0.629 . . . . 1.01 111.282 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.3 -35.57 81.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.563 0.221 . . . . 1.37 110.88 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -57.42 -51.24 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 1.65 109.868 175.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.9 m -67.63 -34.3 76.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.521 -0.763 . . . . 1.75 110.907 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.8 -63.67 1.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.647 -0.706 . . . . 1.47 112.165 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CD2' ' HB3' ' A' ' 22' ' ' ALA . 96.3 m-85 -77.04 -2.53 34.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.839 0.352 . . . . 2.33 111.22 -176.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.71 34.83 66.69 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.105 -0.569 . . . . 2.72 111.743 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -100.29 152.99 4.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.062 0.458 . . . . 1.67 110.842 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.3 p -137.06 -170.06 2.63 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.759 -0.655 . . . . 2.84 109.75 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.54 -12.48 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 121.796 0.808 . . . . 2.74 110.267 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.17 -31.08 72.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.513 0.673 . . . . 4.01 109.446 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' HA ' ' HG ' ' A' ' 66' ' ' LEU . 8.2 m-20 -75.62 -8.0 55.69 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.397 -0.82 . . . . 3.62 110.241 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 22.9 t -80.33 -29.35 38.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.131 -0.692 . . . . 3.27 109.131 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.73 -41.42 92.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 3.46 110.641 175.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 63' ' ' ASP . 3.2 pp -90.34 28.96 1.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.116 0.484 . . . . 2.39 111.407 178.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.6 160.63 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.836 -0.62 . . . . 1.89 111.665 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.449 HD13 HD22 ' A' ' 72' ' ' LEU . 84.8 mt -97.15 158.94 32.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.608 -0.724 . . . . 1.72 110.016 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -43.0 -49.3 7.07 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.584 2.856 . . . . 3.19 114.143 -175.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -123.67 177.11 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.175 -0.306 . . . . 3.24 110.175 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.5 p -70.72 142.1 51.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.237 0.541 . . . . 1.99 109.598 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.52 ' HB2' ' CB ' ' A' ' 24' ' ' ALA . 3.9 mm? -76.59 -34.87 1.4 Allowed Pre-proline 0 C--N 1.321 -0.662 0 CA-C-O 118.531 -0.747 . . . . 2.33 112.671 -176.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.437 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 68.1 Cg_exo -48.0 -31.05 15.08 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.382 1.388 . . . . 1.23 112.604 168.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' HA ' ' HG2' ' A' ' 77' ' ' GLU . 31.9 tt0 -74.89 -35.19 62.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.489 0.661 . . . . 2.28 110.147 176.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.7 mm -63.42 -40.11 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.367 -0.605 . . . . 2.04 109.367 172.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.622 ' HE2' ' CE1' ' A' ' 76' ' ' PHE . 11.0 m-30 -66.2 -45.12 81.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.22 -0.9 . . . . 3.08 110.698 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 74' ' ' GLU . 12.5 pt-20 -64.48 -19.1 65.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.844 0.354 . . . . 2.52 110.923 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.94 -63.56 1.28 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.418 -0.356 . . . . 1.24 111.121 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -50.1 38.26 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.259 0.466 . . . . 1.47 112.259 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 76' ' ' PHE . . . -72.98 -11.65 60.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.912 -0.585 . . . . 1.7 111.541 -173.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.425 ' HA ' ' NH2' ' B' ' 20' ' ' ARG . 42.1 m -99.85 -18.36 17.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.282 0.563 . . . . 2.49 110.208 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.81 46.9 2.72 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.935 -0.65 . . . . 2.64 112.798 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.3 tttt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.503 -0.761 . . . . 4.9 109.691 176.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.728 0.299 . . . . 4.05 110.204 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -88.96 132.15 34.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.158 0.504 . . . . 2.42 110.217 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.439 HD22 ' HB1' ' A' ' 80' ' ' ALA . 22.0 t-20 -83.01 -35.08 26.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.561 -0.745 . . . . 2.52 111.157 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.46 ' HB3' ' CE1' ' B' ' 57' ' ' PHE . 3.1 mppt? -62.61 -32.76 73.83 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.44 0.533 . . . . 2.39 112.44 -170.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -65.25 -39.27 92.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.018 -0.273 . . . . 1.97 111.008 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.425 ' NH2' ' HA ' ' A' ' 81' ' ' THR . 35.3 mtm180 -74.58 -33.13 62.58 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.424 -0.584 . . . . 3.01 109.424 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' B' ' 18' ' ' LYS . 9.5 tp -54.21 -50.1 67.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.985 -1.007 . . . . 1.27 110.133 172.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.603 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -56.62 -53.38 58.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.647 -0.706 . . . . 1.42 111.123 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.56 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 30.0 t80 -55.29 -44.58 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 3.41 111.431 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.527 ' CB ' ' HB2' ' B' ' 72' ' ' LEU . . . -59.68 -42.39 92.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.217 0.532 . . . . 1.62 111.106 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 74.2 mt -70.03 -37.58 72.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.435 -0.802 . . . . 1.54 110.409 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 22' ' ' ALA . 61.3 mt -54.61 -49.6 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 1.37 110.43 174.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -68.45 -51.39 44.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 1.67 111.774 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 1.65 ' HD2' ' CD1' ' B' ' 28' ' ' PHE . 59.0 t80 -60.0 -48.87 79.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 2.76 110.892 -176.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.584 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.9 mp -69.08 -27.36 65.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.602 -0.272 . . . . 1.28 111.423 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' B' ' 26' ' ' ILE . 50.2 t-80 -67.17 -48.84 66.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.938 0.399 . . . . 1.63 110.265 177.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.15 -43.94 73.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.045 -0.525 . . . . 1.98 110.537 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -61.8 -29.1 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.93 110.5 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.584 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 1.5 tm? -62.28 -52.95 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.634 -0.712 . . . . 1.76 109.643 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -69.02 -30.7 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.57 -0.741 . . . . 4.03 110.531 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -75.9 -25.08 55.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.86 -0.609 . . . . 3.47 111.017 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.88 39.69 7.97 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 121.127 -0.558 . . . . 0.58 112.264 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.12 -42.1 99.58 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.236 -0.507 . . . . 0.53 113.591 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.432 HD21 HD12 ' B' ' 46' ' ' LEU . 3.5 mm? -104.49 -173.95 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.872 0.336 . . . . 1.21 110.709 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -77.42 -171.89 2.29 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.47 -0.332 . . . . 1.7 110.954 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.9 m -67.87 -59.02 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.108 0.41 . . . . 1.96 112.108 -173.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -62.78 -35.26 79.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.551 0.691 . . . . 2.21 109.867 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.9 85.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.017 -0.992 . . . . 1.13 110.902 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.499 ' O ' HD22 ' B' ' 33' ' ' LEU . 25.4 tt0 -61.32 -51.46 68.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.626 . . . . 1.74 109.808 178.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.22 -37.89 72.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.669 -0.696 . . . . 2.36 110.504 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.5 m -66.92 -31.97 72.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.595 -0.73 . . . . 1.64 111.895 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.528 ' HB2' HD21 ' B' ' 33' ' ' LEU . 20.3 mt -61.74 -53.56 54.43 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 121.066 -0.253 . . . . 1.81 110.609 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 40.0 tt0 -55.28 -44.86 76.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.959 -0.564 . . . . 1.75 110.873 -176.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.78 -47.87 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 1.23 110.437 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.55 96.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.546 . . . . 1.13 111.431 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.485 HG13 ' O ' ' B' ' 46' ' ' LEU . 83.6 mt -56.14 -50.75 68.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 1.36 110.8 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 73.7 mm-40 -64.7 -37.27 87.01 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.031 -0.531 . . . . 1.84 110.731 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 72.3 m -68.04 -48.12 66.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.902 -0.59 . . . . 1.01 111.282 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.27 -35.66 81.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.703 0.287 . . . . 1.37 110.853 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -57.4 -51.33 69.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.23 0.538 . . . . 1.66 109.972 175.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.9 m -67.28 -34.7 77.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.543 -0.753 . . . . 1.75 110.849 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.48 -63.75 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.642 -0.708 . . . . 1.47 112.237 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.603 ' CD2' ' HB3' ' B' ' 22' ' ' ALA . 96.3 m-85 -76.92 -2.67 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.869 0.366 . . . . 2.32 111.259 -176.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.83 34.65 65.94 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.112 -0.566 . . . . 2.73 111.836 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.06 153.22 4.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.058 0.456 . . . . 1.67 110.976 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -137.49 -171.15 2.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.613 -0.722 . . . . 2.84 109.718 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 p -68.79 -12.41 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.773 0.797 . . . . 2.73 110.236 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -63.15 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.585 0.707 . . . . 4.0 109.419 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.402 ' HA ' ' HG ' ' B' ' 66' ' ' LEU . 8.5 m-20 -75.6 -7.88 55.37 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.377 -0.829 . . . . 3.62 110.231 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.56 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 22.8 t -80.48 -29.51 37.39 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.197 -0.668 . . . . 3.28 109.197 173.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.34 -41.67 93.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.94 -0.573 . . . . 3.46 110.708 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.402 ' HG ' ' HA ' ' B' ' 63' ' ' ASP . 3.2 pp -89.57 27.29 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.158 0.504 . . . . 2.39 111.452 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.34 160.66 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 1.89 111.769 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.438 HD13 HD22 ' B' ' 72' ' ' LEU . 85.1 mt -97.28 159.08 32.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.589 -0.732 . . . . 1.72 110.021 177.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -43.12 -49.26 7.28 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.679 2.919 . . . . 3.2 114.118 -175.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -123.97 176.73 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.066 -0.346 . . . . 3.24 110.066 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 73.4 p -70.55 144.59 51.23 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.298 -0.63 . . . . 1.98 109.298 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.527 ' HB2' ' CB ' ' B' ' 24' ' ' ALA . 3.9 mm? -78.49 -34.67 1.05 Allowed Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 118.642 -0.694 . . . . 2.33 112.61 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.432 ' HA ' ' CD2' ' B' ' 76' ' ' PHE . 67.4 Cg_exo -48.06 -31.13 15.49 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.426 1.418 . . . . 1.23 112.572 168.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.412 ' HA ' ' HG2' ' B' ' 77' ' ' GLU . 32.1 tt0 -74.9 -35.28 62.25 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.337 0.589 . . . . 2.27 110.11 176.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 22.6 mm -63.35 -40.03 87.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.384 0.611 . . . . 2.04 109.357 172.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 1.637 ' HD2' ' CD1' ' B' ' 76' ' ' PHE . 10.9 m-30 -66.26 -45.04 81.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.239 -0.892 . . . . 3.08 110.654 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' B' ' 74' ' ' GLU . 12.5 pt-20 -64.6 -19.26 65.56 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.764 -0.375 . . . . 2.51 110.876 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.48 -63.96 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.886 0.374 . . . . 1.24 111.107 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.96 40.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.32 0.489 . . . . 1.47 112.32 -174.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.47 ' HB1' HD22 ' A' ' 17' ' ' ASN . . . -72.78 -12.44 61.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.872 -0.604 . . . . 1.7 111.454 -173.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.439 ' HA ' ' NH2' ' A' ' 20' ' ' ARG . 45.2 m -99.52 -18.01 17.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 2.49 110.301 173.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.95 46.79 2.69 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.903 -0.665 . . . . 2.63 112.771 -175.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 77.2 tttt . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.378 -0.82 . . . . 4.9 109.867 177.058 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.598 0.237 . . . . 4.05 110.952 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD1' ' HG3' ' A' ' 19' ' ' LYS . 16.2 m-20 -83.34 75.86 9.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.122 0.487 . . . . 2.4 111.462 -173.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.89 -43.75 12.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.125 -0.489 . . . . 2.52 110.62 176.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -66.83 -43.28 84.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.98 0.419 . . . . 2.39 110.334 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HG3' ' OD1' ' A' ' 16' ' ' ASP . 2.6 mmmm -59.25 -58.05 10.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.552 -0.749 . . . . 1.98 110.907 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 33.3 mtm180 -72.34 -19.48 61.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.163 -0.926 . . . . 3.0 110.997 -173.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 HD11 ' CE2' ' B' ' 76' ' ' PHE . 14.0 tp -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.298 -0.63 . . . . 1.28 109.298 171.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -63.27 -50.12 71.37 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.466 -0.788 . . . . 1.42 110.561 178.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 1.615 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.26 -48.29 71.33 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.277 0.36 . . . . 3.42 111.194 -177.384 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.11 -41.12 86.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.466 -0.334 . . . . 1.62 111.24 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.56 -41.94 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 1.54 110.43 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 22' ' ' ALA . 90.3 mt -57.69 -50.62 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.655 0.265 . . . . 1.37 110.736 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -62.41 -46.96 86.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 1.68 111.662 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.63 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 43.1 t80 -63.33 -47.07 83.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.38 . . . . 2.76 110.564 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.581 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.8 mp -72.15 -22.05 61.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 1.28 111.467 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -70.53 -46.97 62.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.021 -0.363 . . . . 1.62 110.021 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.69 -44.6 89.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 1.98 110.026 177.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.42 HE21 ' HB3' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -60.78 -37.17 80.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 1.92 110.871 176.767 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.581 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.47 -48.02 76.79 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.573 -0.528 . . . . 1.76 109.573 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.03 -32.73 74.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.786 -0.643 . . . . 4.02 110.404 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -77.99 -20.89 51.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.753 -0.658 . . . . 3.46 111.496 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.19 43.71 12.88 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.063 -0.589 . . . . 0.58 111.96 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.78 -62.86 4.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.119 -0.562 . . . . 0.52 113.237 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.15 -178.51 6.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.868 0.366 . . . . 1.21 111.257 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -69.73 174.65 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 1.7 111.455 -177.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.3 t -60.85 -55.65 30.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.673 0.273 . . . . 1.97 111.228 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.8 -40.75 93.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 2.2 110.437 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.52 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -57.93 -47.2 83.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.7 -0.682 . . . . 1.13 110.908 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -53.58 -60.2 3.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.777 -0.647 . . . . 1.74 111.323 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -49.11 -43.25 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.228 -0.896 . . . . 2.36 111.259 176.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.8 m -67.65 -34.49 77.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 1.64 111.671 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 32.2 mt -65.52 -39.58 92.0 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 121.026 -0.27 . . . . 1.81 110.453 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.15 -40.33 77.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.17 0.509 . . . . 1.76 110.15 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.62 -48.65 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.777 -0.647 . . . . 1.23 110.218 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.79 -39.94 82.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 1.12 111.475 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 58.1 mt -55.74 -55.67 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.046 -0.525 . . . . 1.35 110.944 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.64 -32.97 74.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.688 0.28 . . . . 1.84 111.317 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.3 m -66.53 -51.44 56.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.335 -0.393 . . . . 1.01 110.948 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.64 -38.36 89.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.045 0.45 . . . . 1.37 110.301 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 42.3 tt0 -54.61 -53.2 57.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.33 -0.85 . . . . 1.65 110.507 176.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -70.26 -30.86 68.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.038 -0.528 . . . . 1.75 111.044 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -62.88 1.36 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 1.47 112.231 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 22' ' ' ALA . 95.3 m-85 -75.21 -12.27 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.356 -0.383 . . . . 2.33 111.12 -175.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.56 28.43 47.61 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.77 -0.729 . . . . 2.72 111.643 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 27.0 m -103.48 152.21 6.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.394 -0.224 . . . . 1.67 110.394 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.522 ' OG1' ' HG2' ' A' ' 62' ' ' GLU . 12.7 p -141.98 -169.15 2.86 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.591 -0.522 . . . . 2.84 109.591 176.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -56.67 -27.28 25.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 120.836 0.351 . . . . 2.74 111.685 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.522 ' HG2' ' OG1' ' A' ' 60' ' ' THR . 12.7 pt-20 -65.24 -24.88 67.45 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.05 0.452 . . . . 4.01 110.675 178.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 2.9 t70 -75.71 -17.81 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.789 0.804 . . . . 3.62 109.051 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.492 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 36.6 t -81.86 -19.79 40.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.395 -0.82 . . . . 3.27 109.583 174.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -75.93 -27.2 57.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 3.46 110.895 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 2.2 pp -88.0 31.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.368 0.604 . . . . 2.39 109.935 172.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 64' ' ' SER . . . -47.54 150.18 1.02 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.592 -1.186 . . . . 1.89 113.124 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.403 HD22 ' CZ ' ' A' ' 20' ' ' ARG . 97.9 mt -96.72 149.38 35.72 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 115.342 -0.844 . . . . 1.72 110.461 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -42.34 -51.58 4.84 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.422 2.748 . . . . 3.19 112.584 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.61 150.01 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.423 -0.808 . . . . 3.24 109.621 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.2 p -79.86 139.74 37.04 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.173 -0.677 . . . . 1.99 109.173 171.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.504 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 65.4 mt -79.97 -37.5 1.1 Allowed Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 113.466 0.913 . . . . 2.33 113.466 -168.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.579 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 52.5 Cg_exo -57.79 -31.01 91.17 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.151 1.234 . . . . 1.23 111.97 170.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -69.02 -47.53 65.22 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.924 -0.398 . . . . 2.28 109.924 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.6 mm -52.95 -42.9 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.462 0.648 . . . . 2.04 109.882 171.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 2.2 t80 -60.65 -36.92 79.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.973 -1.012 . . . . 3.08 110.826 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 45.9 mt-10 -65.53 -27.11 68.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.762 0.315 . . . . 2.52 111.098 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.69 -45.2 10.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 1.24 111.136 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.61 19.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.217 0.451 . . . . 1.47 112.217 -175.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.58 -8.43 55.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.599 0.592 . . . . 1.7 112.599 -170.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 p -93.75 5.35 51.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.241 0.543 . . . . 2.49 110.628 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.18 -124.21 0.77 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.24 -0.744 . . . . 2.64 111.24 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.247 0.967 0 CA-C-O 119.078 -0.487 . . . . 4.9 110.31 176.781 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.567 0.222 . . . . 4.05 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.401 ' OD1' ' HG3' ' B' ' 19' ' ' LYS . 15.8 m-20 -83.54 76.81 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.502 . . . . 2.42 111.153 -173.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.85 -44.14 12.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.158 -0.474 . . . . 2.52 110.654 176.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -66.85 -43.11 84.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 2.39 110.382 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.401 ' HG3' ' OD1' ' B' ' 16' ' ' ASP . 2.5 mmmm -59.24 -58.25 9.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.515 -0.766 . . . . 1.97 110.872 -178.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -72.2 -19.37 61.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.25 -0.886 . . . . 3.01 111.091 -173.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 76' ' ' PHE . 14.0 tp -59.74 -49.61 77.06 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.306 -0.628 . . . . 1.27 109.306 171.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.553 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -63.42 -49.97 71.65 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.426 -0.806 . . . . 1.42 110.521 178.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 1.667 ' HD1' ' CD2' ' B' ' 23' ' ' TYR . 0.0 OUTLIER -54.26 -48.35 71.28 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.244 0.34 . . . . 3.41 111.169 -177.44 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.2 86.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.458 -0.337 . . . . 1.62 111.113 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 35.1 mt -67.64 -41.78 85.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.301 -0.408 . . . . 1.54 110.394 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.442 HG13 ' O ' ' B' ' 22' ' ' ALA . 90.6 mt -57.68 -50.8 76.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.61 0.243 . . . . 1.37 110.711 177.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -62.21 -47.15 85.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 1.67 111.606 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 1.618 ' HE1' ' CE2' ' B' ' 28' ' ' PHE . 43.6 t80 -63.17 -46.89 85.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.004 0.431 . . . . 2.76 110.651 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.572 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.8 mp -72.2 -22.15 61.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.234 -0.439 . . . . 1.28 111.517 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -70.38 -47.05 62.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.361 . . . . 1.63 110.132 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.71 -44.4 90.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 1.98 110.033 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -37.08 81.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.517 -0.765 . . . . 1.93 110.862 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.572 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -64.41 -48.02 76.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.633 -0.506 . . . . 1.76 109.633 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.03 -32.73 74.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 4.03 110.391 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -78.11 -21.0 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 3.47 111.391 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.84 42.52 12.79 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.936 -0.649 . . . . 0.58 112.052 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.17 -62.8 4.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.066 -0.587 . . . . 0.53 113.137 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.22 -178.41 6.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.818 0.342 . . . . 1.21 111.321 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.9 m -69.81 174.73 4.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 1.7 111.398 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -60.84 -55.69 30.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 1.96 111.094 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -60.89 -40.5 93.27 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.228 -0.442 . . . . 2.21 110.531 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.522 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -58.1 -47.11 84.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.66 -0.7 . . . . 1.13 110.799 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -53.62 -60.1 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 1.74 111.358 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -49.31 -43.07 43.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.168 -0.924 . . . . 2.36 111.302 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 39.5 m -67.69 -34.59 77.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 1.64 111.664 -178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 31.8 mt -65.4 -39.51 92.29 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 121.024 -0.27 . . . . 1.81 110.504 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.28 -40.3 77.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.167 0.508 . . . . 1.75 110.075 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 23.5 t -69.67 -48.5 64.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.793 -0.639 . . . . 1.23 110.229 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.63 82.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.902 -0.59 . . . . 1.13 111.482 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.403 HG13 ' O ' ' B' ' 46' ' ' LEU . 57.9 mt -55.89 -55.68 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 1.36 110.928 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.6 -33.05 74.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.571 -0.286 . . . . 1.84 111.336 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.7 m -66.44 -51.65 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.3 -0.409 . . . . 1.01 110.869 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.56 -38.32 89.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.072 0.463 . . . . 1.37 110.278 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 42.3 tt0 -54.68 -53.24 57.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.363 -0.835 . . . . 1.66 110.452 176.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.5 m -70.34 -30.61 67.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.022 -0.535 . . . . 1.75 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.98 -63.05 1.26 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.162 -0.472 . . . . 1.47 112.221 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' B' ' 22' ' ' ALA . 94.9 m-85 -75.08 -12.12 60.25 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.318 -0.401 . . . . 2.32 111.241 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.34 28.72 47.56 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.855 -0.688 . . . . 2.73 111.603 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.403 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 26.9 m -103.82 151.57 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.672 0.272 . . . . 1.67 110.382 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' THR . . . . . 0.519 ' OG1' ' HG2' ' B' ' 62' ' ' GLU . 13.7 p -141.52 -170.46 3.1 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.621 -0.511 . . . . 2.84 109.621 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -55.61 -27.53 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 120.698 0.285 . . . . 2.73 111.741 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.519 ' HG2' ' OG1' ' B' ' 60' ' ' THR . 12.7 pt-20 -65.11 -24.74 67.51 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.015 0.436 . . . . 4.0 110.737 178.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.407 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 3.0 t70 -75.76 -17.89 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.829 0.823 . . . . 3.62 109.037 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.49 ' O ' ' HB3' ' B' ' 67' ' ' ALA . 34.7 t -81.8 -19.89 40.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.404 -0.817 . . . . 3.28 109.594 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -75.83 -27.27 57.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 3.46 110.878 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 2.2 pp -86.91 28.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.302 0.572 . . . . 2.39 110.157 172.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' B' ' 64' ' ' SER . . . -45.58 149.81 0.55 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 114.658 -1.155 . . . . 1.89 113.372 -177.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 98.1 mt -96.51 149.43 35.83 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.28 -0.873 . . . . 1.72 110.546 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -43.01 -50.29 6.37 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.341 2.694 . . . . 3.2 112.855 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.42 150.07 24.86 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 3.24 109.511 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 10.6 p -79.73 143.28 34.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.703 -0.851 . . . . 1.98 108.703 171.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 67.3 mt -82.49 -37.57 0.78 Allowed Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 113.249 0.833 . . . . 2.33 113.249 -168.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.578 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 53.1 Cg_exo -57.8 -31.04 91.29 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.154 1.236 . . . . 1.23 111.999 170.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.04 -47.66 64.83 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.798 -0.445 . . . . 2.27 109.798 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 17.5 mm -52.86 -42.97 44.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.415 0.626 . . . . 2.04 109.842 171.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 2.2 t80 -60.54 -36.93 79.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.94 -1.027 . . . . 3.08 110.858 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.5 mt-10 -65.47 -27.75 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.665 0.269 . . . . 2.51 111.027 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.85 -45.16 10.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.962 0.411 . . . . 1.24 111.315 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.13 -50.72 18.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.217 0.451 . . . . 1.47 112.217 -175.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.26 -11.11 60.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.611 0.597 . . . . 1.7 112.611 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 17.1 p -92.03 5.09 51.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.174 0.512 . . . . 2.49 110.767 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.78 -124.34 0.79 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.354 -0.699 . . . . 2.63 111.354 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.246 0.88 0 CA-C-O 119.354 -0.355 . . . . 4.9 110.154 176.502 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 90.7 mtp . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.103 -0.332 . . . . 4.05 110.103 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.617 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 17.7 m-20 -77.47 105.89 8.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.14 -0.482 . . . . 2.4 110.295 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -76.49 -14.3 60.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.41 0.624 . . . . 2.52 109.612 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -59.07 -35.92 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.326 -0.852 . . . . 2.39 111.103 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 16' ' ' ASP . 21.0 ptmt -70.67 -38.71 73.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 1.98 110.593 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.467 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 37.1 mtm180 -73.56 -21.73 60.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.606 0.717 . . . . 3.0 110.037 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.55 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 30.5 tp -61.92 -39.53 92.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.209 -0.905 . . . . 1.28 109.704 171.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.644 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -64.82 -54.56 29.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.305 -0.861 . . . . 1.42 112.095 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 1.651 ' HE1' ' CE2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -58.02 -40.03 79.81 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.716 0.293 . . . . 3.42 110.466 -174.145 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.63 91.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.155 0.502 . . . . 1.62 110.873 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.09 -44.3 74.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.538 -0.755 . . . . 1.54 110.032 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.6 mt -56.14 -48.79 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.859 -0.61 . . . . 1.37 110.606 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 81.3 mm-40 -58.65 -43.69 89.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.771 -0.649 . . . . 1.68 111.632 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.526 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 40.6 t80 -71.68 -53.85 12.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.404 -0.362 . . . . 2.76 111.052 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.63 -31.01 69.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 1.28 111.355 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -56.1 -57.08 13.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.147 0.499 . . . . 1.62 110.765 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.11 -34.91 64.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.845 -0.616 . . . . 1.98 110.805 -176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -60.15 -41.01 91.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.987 0.422 . . . . 1.92 110.533 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.87 -45.49 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 1.76 109.735 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -66.62 -24.17 66.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.724 -0.671 . . . . 4.02 111.167 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -94.17 -2.94 51.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.452 -0.34 . . . . 3.46 111.351 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.64 41.86 98.93 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.991 -0.549 . . . . 0.58 112.438 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.45 -48.75 84.49 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.246 -0.502 . . . . 0.52 113.094 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.14 -176.25 4.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.5 0.191 . . . . 1.21 110.929 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 t -69.64 -176.66 1.07 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.583 -0.28 . . . . 1.7 111.119 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 11.4 p -62.78 -64.22 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.109 0.411 . . . . 1.97 112.109 -174.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.8 -32.7 74.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.267 0.556 . . . . 2.2 110.695 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.53 85.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.611 -0.722 . . . . 1.13 110.71 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 40' ' ' SER . 25.6 mt-30 -59.69 -57.24 13.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 1.74 110.939 174.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' O ' HG21 ' A' ' 48' ' ' VAL . 54.7 mm-40 -46.1 -41.02 11.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.379 -0.828 . . . . 2.36 111.143 174.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.4 m -66.12 -29.38 69.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.817 -0.629 . . . . 1.64 111.697 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 50' ' ' ILE . 46.2 mt -62.55 -53.17 58.6 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 110.185 -0.302 . . . . 1.81 110.185 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -55.25 -45.96 76.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 1.76 110.911 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 44' ' ' GLU . 20.5 t -60.56 -49.13 85.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 1.23 110.359 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.36 96.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.861 -0.609 . . . . 1.12 111.285 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 46' ' ' LEU . 85.2 mt -56.37 -50.66 70.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.182 -0.463 . . . . 1.35 110.532 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -63.24 -41.71 99.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 1.84 110.698 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.64 -50.48 66.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.594 . . . . 1.01 111.501 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.47 -35.41 80.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.54 0.21 . . . . 1.37 111.269 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.03 -53.41 58.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.14 0.495 . . . . 1.65 109.95 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.0 m -68.74 -33.92 74.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 1.75 111.1 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' B' ' 42' ' ' ALA . . . -58.6 -55.54 33.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 1.47 111.811 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.644 ' CD2' ' HB3' ' A' ' 22' ' ' ALA . 98.6 m-85 -81.29 -6.36 58.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.726 0.298 . . . . 2.33 111.106 -178.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.56 31.73 65.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.091 -0.575 . . . . 2.72 112.041 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.9 m -104.67 162.9 4.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.447 . . . . 1.67 111.187 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.1 p -140.64 -169.58 2.82 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.067 -0.716 . . . . 2.84 109.067 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.0 -21.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.415 0.626 . . . . 2.74 109.975 174.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HA ' ' OD2' ' A' ' 65' ' ' ASP . 31.8 mt-10 -64.11 -24.73 67.8 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.517 -0.765 . . . . 4.01 110.93 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -74.32 -23.22 59.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 3.62 109.322 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 13.9 t -80.46 -16.34 54.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.483 -0.781 . . . . 3.27 109.583 175.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.463 ' OD2' ' HA ' ' A' ' 62' ' ' GLU . 5.8 m-20 -71.69 -40.33 69.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.173 -0.467 . . . . 3.46 110.284 173.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -87.88 31.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.473 0.654 . . . . 2.39 110.32 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 64' ' ' SER . . . -50.21 152.84 1.62 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.685 -1.143 . . . . 1.89 113.375 -176.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.467 HD22 ' CZ ' ' A' ' 20' ' ' ARG . 88.3 mt -82.72 167.18 31.57 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 114.883 -1.053 . . . . 1.72 110.33 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 68' ' ' LEU . 5.5 Cg_exo -39.85 -48.62 3.64 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 123.695 2.93 . . . . 3.19 112.684 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -135.38 153.38 51.84 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.96 -0.756 . . . . 3.24 108.96 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -70.59 142.23 51.72 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.379 0.609 . . . . 1.99 110.027 176.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.523 ' N ' ' HD2' ' A' ' 73' ' ' PRO . 28.4 mt -66.93 -30.55 3.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 114.34 1.237 . . . . 2.33 114.34 -170.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.526 ' CG ' ' HB2' ' A' ' 28' ' ' PHE . 20.8 Cg_exo -36.58 -45.84 1.18 Allowed 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.777 2.318 . . . . 1.23 113.919 170.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 31.7 tt0 -72.77 -37.38 67.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.951 0.405 . . . . 2.28 110.626 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.8 mm -58.81 -38.68 73.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.003 0.43 . . . . 2.04 109.985 174.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.647 ' HE1' ' CE2' ' A' ' 76' ' ' PHE . 18.4 m-30 -60.18 -42.22 94.53 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.598 -0.728 . . . . 3.08 110.713 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 13.1 pt-20 -80.69 -24.83 38.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.751 0.31 . . . . 2.52 111.028 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.75 -64.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.273 0.472 . . . . 1.24 112.273 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.72 -27.98 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.949 0.405 . . . . 1.47 111.968 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 76' ' ' PHE . . . -75.89 -19.96 58.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.215 -0.448 . . . . 1.7 111.671 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -98.77 15.91 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.471 . . . . 2.49 110.817 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.37 124.72 1.43 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.83 -0.7 . . . . 2.64 112.272 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.408 -0.806 . . . . 4.9 109.835 177.733 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.162 -0.31 . . . . 4.05 110.162 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.601 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 18.9 m-20 -77.18 105.77 8.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.238 -0.437 . . . . 2.42 110.533 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -76.52 -14.43 60.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.302 0.573 . . . . 2.52 109.542 176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 0.9 OUTLIER -59.05 -35.81 73.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.347 -0.842 . . . . 2.39 111.122 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' B' ' 16' ' ' ASP . 21.0 ptmt -70.72 -38.71 73.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.565 -0.289 . . . . 1.97 110.667 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.461 ' CZ ' HD22 ' B' ' 68' ' ' LEU . 37.2 mtm180 -73.66 -21.6 60.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.557 0.694 . . . . 3.01 109.942 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.55 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 30.5 tp -61.98 -39.45 92.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.313 -0.858 . . . . 1.27 109.639 171.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.64 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -64.99 -54.61 27.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.369 -0.832 . . . . 1.42 111.982 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 1.636 ' HD2' ' CD1' ' B' ' 23' ' ' TYR . 0.3 OUTLIER -58.03 -39.94 79.61 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-O 120.733 0.302 . . . . 3.41 110.51 -174.106 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.6 91.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 1.62 110.903 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.21 -44.27 73.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.604 -0.725 . . . . 1.54 110.045 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -56.01 -49.0 77.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 1.37 110.577 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 80.2 mm-40 -58.62 -43.58 89.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 1.67 111.745 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 0.527 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 40.2 t80 -71.77 -53.69 12.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 2.76 111.049 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.73 -31.18 69.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 1.28 111.315 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -55.86 -57.16 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.177 0.513 . . . . 1.63 110.78 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.05 -34.88 64.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.831 -0.622 . . . . 1.98 110.92 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -60.12 -40.98 91.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.988 0.423 . . . . 1.93 110.538 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.402 HD21 HD13 ' B' ' 46' ' ' LEU . 3.3 tm? -62.86 -45.41 92.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.808 -0.633 . . . . 1.76 109.723 177.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -66.96 -23.82 66.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.841 -0.618 . . . . 4.03 111.164 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -94.23 -3.19 51.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.791 0.329 . . . . 3.47 111.362 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.94 41.46 98.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.117 -0.563 . . . . 0.58 112.483 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.33 -48.55 85.43 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.195 -0.526 . . . . 0.53 113.153 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.2 -176.2 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.404 0.145 . . . . 1.21 111.012 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.9 t -69.82 -176.46 1.08 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.695 0.283 . . . . 1.7 111.109 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 11.8 p -63.09 -63.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.182 0.438 . . . . 1.96 112.182 -174.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.96 -32.75 74.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.245 0.545 . . . . 2.21 110.599 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 56' ' ' ALA . . . -60.66 -38.59 85.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.656 -0.702 . . . . 1.13 110.713 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' B' ' 40' ' ' SER . 25.3 mt-30 -59.67 -57.25 13.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.765 -0.652 . . . . 1.74 110.803 175.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.406 ' O ' HG21 ' B' ' 48' ' ' VAL . 54.3 mm-40 -46.03 -41.02 11.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.392 -0.822 . . . . 2.36 111.241 174.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 29.8 m -66.19 -29.31 69.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.868 -0.605 . . . . 1.64 111.686 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.52 ' O ' HG13 ' B' ' 50' ' ' ILE . 46.0 mt -62.5 -53.27 57.18 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 110.199 -0.297 . . . . 1.81 110.199 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -55.24 -45.89 76.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.744 -0.662 . . . . 1.75 110.891 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.406 HG21 ' O ' ' B' ' 44' ' ' GLU . 20.4 t -60.64 -49.12 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 1.23 110.394 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.28 96.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.766 -0.652 . . . . 1.13 111.264 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.52 HG13 ' O ' ' B' ' 46' ' ' LEU . 85.2 mt -56.43 -50.63 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 1.36 110.543 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -63.28 -41.64 99.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 1.84 110.782 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.63 -50.62 66.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.904 -0.589 . . . . 1.01 111.402 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.49 -35.42 80.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.559 0.219 . . . . 1.37 111.307 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.05 -53.09 62.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.195 0.521 . . . . 1.66 109.943 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.0 m -69.12 -33.72 73.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.519 -0.764 . . . . 1.75 111.104 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.4 35.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 1.47 111.813 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.64 ' CD2' ' HB3' ' B' ' 22' ' ' ALA . 98.6 m-85 -81.27 -6.38 58.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.853 0.359 . . . . 2.32 111.17 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.51 31.93 65.13 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.124 -0.56 . . . . 2.73 111.96 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -104.77 163.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.003 0.43 . . . . 1.67 111.172 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 29.8 p -141.06 -170.84 3.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.564 -0.744 . . . . 2.84 109.05 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.98 -21.68 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.432 0.634 . . . . 2.73 110.092 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.451 ' HA ' ' OD2' ' B' ' 65' ' ' ASP . 31.7 mt-10 -64.02 -24.83 67.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.577 -0.738 . . . . 4.0 110.917 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.24 -23.14 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 3.62 109.259 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' B' ' 67' ' ' ALA . 14.3 t -80.32 -16.58 54.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.491 -0.777 . . . . 3.28 109.555 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.451 ' OD2' ' HA ' ' B' ' 62' ' ' GLU . 5.9 m-20 -71.71 -39.92 69.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.124 -0.489 . . . . 3.46 110.477 173.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -87.1 28.23 0.95 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.277 0.561 . . . . 2.39 110.617 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 64' ' ' SER . . . -48.3 152.66 0.83 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.904 -1.043 . . . . 1.89 113.519 -175.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.461 HD22 ' CZ ' ' B' ' 20' ' ' ARG . 88.2 mt -82.82 167.02 32.46 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 114.72 -1.127 . . . . 1.72 110.314 177.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' B' ' 68' ' ' LEU . 5.5 Cg_exo -39.89 -48.58 3.68 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.697 2.931 . . . . 3.2 112.756 176.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -135.15 153.33 52.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.909 -0.774 . . . . 3.24 108.909 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -70.67 144.62 51.0 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.419 0.628 . . . . 1.98 109.716 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' B' ' 73' ' ' PRO . 28.8 mt -68.93 -30.51 2.36 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 114.177 1.177 . . . . 2.33 114.177 -170.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' B' ' 72' ' ' LEU . 20.7 Cg_exo -36.48 -45.71 1.12 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.712 2.275 . . . . 1.23 113.972 170.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' B' ' 77' ' ' GLU . 31.7 tt0 -72.94 -37.42 67.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.929 0.395 . . . . 2.27 110.587 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 25.7 mm -58.85 -38.61 73.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.967 0.413 . . . . 2.04 109.944 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 1.642 ' HD2' ' CD1' ' B' ' 76' ' ' PHE . 18.6 m-30 -60.29 -42.13 94.84 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.602 -0.726 . . . . 3.08 110.721 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' B' ' 74' ' ' GLU . 13.1 pt-20 -80.6 -25.46 38.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.776 0.322 . . . . 2.51 110.951 -177.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.75 -64.42 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.41 0.522 . . . . 1.24 112.41 -174.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.09 -27.81 63.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.023 0.44 . . . . 1.47 111.956 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' B' ' 76' ' ' PHE . . . -75.98 -19.96 58.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.116 -0.493 . . . . 1.7 111.588 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.1 p -98.58 15.66 24.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.111 0.482 . . . . 2.49 110.853 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.66 125.24 1.44 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.878 -0.677 . . . . 2.63 112.168 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.331 -0.842 . . . . 4.9 109.955 177.536 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.285 -0.265 . . . . 4.05 110.285 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.91 127.57 32.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.447 -0.342 . . . . 2.4 110.468 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.638 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 13.3 p-10 -84.94 -14.13 48.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.257 -0.429 . . . . 2.52 110.3 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.66 -48.84 78.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.744 -0.662 . . . . 2.39 111.086 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -63.14 -46.61 86.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 1.98 111.337 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.77 -34.83 79.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.248 0.547 . . . . 3.0 110.625 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 tp -58.08 -51.44 69.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.303 -0.862 . . . . 1.28 110.082 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -64.04 -48.54 75.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 1.42 110.87 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.403 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 8.1 t80 -52.58 -53.03 52.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 3.42 112.029 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.33 83.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.391 -0.368 . . . . 1.62 111.19 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.6 mt -69.86 -39.24 77.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.105 -0.498 . . . . 1.54 110.35 177.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 22' ' ' ALA . 49.8 mt -54.76 -55.91 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.255 -0.43 . . . . 1.37 111.091 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.28 -44.83 93.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 1.68 111.765 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -65.82 -46.32 79.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.547 -0.297 . . . . 2.76 110.988 -178.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 mp -64.05 -36.71 84.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.67 -0.241 . . . . 1.28 110.501 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.77 -50.95 70.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 1.62 110.687 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.84 -34.06 68.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.489 -0.323 . . . . 1.98 110.784 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.47 -37.64 81.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 1.92 110.536 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 66.9 mt -66.79 -43.44 83.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 1.76 110.422 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.87 -26.96 65.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 4.02 110.955 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -89.72 -2.59 58.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.87 0.367 . . . . 3.46 111.139 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.44 40.66 91.34 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.949 -0.569 . . . . 0.58 112.815 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.78 -36.92 92.87 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.001 -0.619 . . . . 0.52 112.598 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.84 178.34 4.5 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.231 -0.285 . . . . 1.21 110.231 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.3 t -74.75 179.97 4.51 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.91 -0.404 . . . . 1.7 109.91 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -63.44 -58.16 7.93 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.325 -0.235 . . . . 1.97 111.558 -173.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.99 -38.42 88.53 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.34 0.591 . . . . 2.2 110.722 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.43 91.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.427 -0.806 . . . . 1.13 110.596 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.479 ' HA ' HD23 ' A' ' 33' ' ' LEU . 9.0 tt0 -60.01 -47.92 83.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.573 -0.739 . . . . 1.74 110.226 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' O ' HG21 ' A' ' 48' ' ' VAL . 36.6 mt-10 -62.58 -40.9 98.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.651 -0.704 . . . . 2.36 110.221 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 43.4 m -61.46 -42.58 98.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.537 -0.756 . . . . 1.64 111.319 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.58 ' HB2' HD22 ' A' ' 33' ' ' LEU . 18.9 mt -59.96 -43.75 94.86 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 121.16 -0.216 . . . . 1.81 110.806 177.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 41.4 tt0 -60.94 -42.15 97.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.308 -0.405 . . . . 1.76 110.882 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 44' ' ' GLU . 43.8 t -64.64 -40.94 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.006 0.431 . . . . 1.23 109.849 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.19 98.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.776 -0.647 . . . . 1.12 110.938 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 46' ' ' LEU . 71.4 mt -54.67 -51.8 47.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.062 -0.517 . . . . 1.35 110.73 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 8.6 mm100 -63.19 -36.7 84.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.961 -0.563 . . . . 1.84 110.596 -178.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' B' ' 45' ' ' SER . 72.9 m -68.11 -47.2 68.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.927 -0.579 . . . . 1.01 110.871 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.47 -40.12 96.28 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.958 0.409 . . . . 1.37 110.305 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.54 -51.47 69.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.623 -0.717 . . . . 1.65 110.385 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 m -68.1 -30.99 70.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.037 -0.529 . . . . 1.75 111.08 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.66 -61.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.976 -0.556 . . . . 1.47 111.758 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -73.64 -13.06 60.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.981 0.42 . . . . 2.33 111.283 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.29 35.95 60.0 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.741 -0.663 . . . . 2.72 111.555 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.32 152.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.962 0.41 . . . . 1.67 111.276 -175.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.9 p -139.48 -169.43 2.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.694 -0.684 . . . . 2.84 109.792 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.8 -13.37 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.528 0.68 . . . . 2.74 110.346 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.12 -23.31 67.27 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.331 0.586 . . . . 4.01 110.346 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.83 -18.98 61.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.329 -0.619 . . . . 3.62 109.329 177.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.403 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 10.1 t -76.94 -27.4 54.84 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.775 -0.648 . . . . 3.27 109.514 176.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.02 -38.39 90.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.778 -0.646 . . . . 3.46 109.978 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.44 19.99 14.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.879 -0.6 . . . . 2.39 111.361 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.97 144.19 29.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.261 0.553 . . . . 1.89 112.286 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.478 HD13 HD22 ' A' ' 72' ' ' LEU . 96.1 mt -75.56 158.87 82.75 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.481 -0.781 . . . . 1.72 110.029 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.89 -47.03 12.3 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.111 2.54 . . . . 3.19 113.253 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -121.78 157.83 30.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.862 -0.422 . . . . 3.24 109.862 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.52 140.44 42.77 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.409 0.623 . . . . 1.99 110.32 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.9 mm? -65.63 -42.73 57.65 Favored Pre-proline 0 C--O 1.22 -0.479 0 CA-C-N 115.069 -0.969 . . . . 2.33 113.152 -175.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -45.97 -34.58 12.92 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.365 2.044 . . . . 1.23 113.983 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.97 -44.92 71.95 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.84 -0.43 . . . . 2.28 109.84 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.63 -39.09 74.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.324 0.583 . . . . 2.04 109.713 172.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.619 ' HE1' ' CE2' ' A' ' 76' ' ' PHE . 12.8 m-30 -62.11 -32.66 73.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.396 -0.82 . . . . 3.08 110.208 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.642 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 62.0 mt-10 -76.4 -14.93 60.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.776 0.322 . . . . 2.52 111.255 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.32 -34.66 15.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.934 0.397 . . . . 1.24 110.768 174.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.8 -51.52 5.05 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.299 0.481 . . . . 1.47 112.299 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.471 ' HA ' HD12 ' B' ' 72' ' ' LEU . . . -71.51 -9.58 58.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.065 0.394 . . . . 1.7 112.065 -172.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -19.0 60.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.954 0.407 . . . . 2.49 110.533 174.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.37 109.31 0.91 Allowed Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.846 -0.616 . . . . 2.64 111.864 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.92 -0.77 . . . . 4.9 108.92 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.663 0.268 . . . . 4.05 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.59 127.49 32.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.408 -0.36 . . . . 2.42 110.501 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.642 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 13.0 p-10 -85.01 -14.06 48.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.26 -0.427 . . . . 2.52 110.285 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -57.76 -48.84 78.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.799 -0.637 . . . . 2.39 110.996 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -63.0 -46.59 86.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.444 . . . . 1.97 111.439 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.84 -34.77 79.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.194 0.521 . . . . 3.01 110.622 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 tp -58.08 -51.49 69.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.363 -0.835 . . . . 1.27 110.05 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.458 ' O ' HG13 ' B' ' 26' ' ' ILE . . . -64.08 -48.55 75.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.787 -0.642 . . . . 1.42 110.848 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.407 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 8.1 t80 -52.58 -52.86 53.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 3.41 112.034 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.28 83.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.831 0.348 . . . . 1.62 111.187 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.4 mt -69.91 -39.13 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.016 -0.538 . . . . 1.54 110.328 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 22' ' ' ALA . 49.6 mt -54.78 -55.84 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.272 -0.422 . . . . 1.37 111.115 175.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.36 -44.76 93.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.125 -0.489 . . . . 1.67 111.768 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -65.9 -46.11 79.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.532 -0.303 . . . . 2.76 111.091 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.686 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 8.3 mp -64.23 -36.75 85.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.602 -0.272 . . . . 1.28 110.483 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.76 -50.99 70.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.336 -0.393 . . . . 1.63 110.625 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.81 -33.95 68.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 1.98 110.769 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.5 -37.68 81.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 1.93 110.516 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' B' ' 29' ' ' LEU . 66.7 mt -66.79 -43.33 84.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 1.76 110.405 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.99 -26.93 65.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.884 -0.598 . . . . 4.03 110.955 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -89.59 -2.86 58.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.832 0.349 . . . . 3.47 111.112 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.83 40.37 89.55 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.115 -0.564 . . . . 0.58 112.73 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.59 -36.99 93.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.024 -0.608 . . . . 0.53 112.536 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.91 178.21 4.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.157 -0.312 . . . . 1.21 110.157 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -74.75 179.94 4.52 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.965 -0.383 . . . . 1.7 109.965 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 20.9 t -63.39 -57.92 8.76 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.688 0.255 . . . . 1.96 111.688 -173.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.31 -38.54 89.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.234 0.54 . . . . 2.21 110.618 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.31 90.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.579 -0.737 . . . . 1.13 110.636 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.477 ' HA ' HD23 ' B' ' 33' ' ' LEU . 8.9 tt0 -60.08 -47.75 84.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.515 -0.766 . . . . 1.74 110.332 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.56 -41.02 98.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.635 -0.712 . . . . 2.36 110.249 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' SER . . . . . 0.473 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 46.3 m -61.5 -42.63 99.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.464 -0.789 . . . . 1.64 111.266 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.567 ' O ' HG13 ' B' ' 50' ' ' ILE . 18.7 mt -59.99 -43.64 95.03 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 121.229 -0.189 . . . . 1.81 110.748 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 41.1 tt0 -61.22 -42.05 97.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.307 -0.406 . . . . 1.75 110.821 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 43.9 t -64.54 -41.07 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.025 0.441 . . . . 1.23 109.835 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.14 98.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.813 -0.631 . . . . 1.13 110.934 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 46' ' ' LEU . 71.5 mt -54.7 -51.86 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 1.36 110.688 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 8.6 mm100 -63.18 -36.57 84.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 1.84 110.693 -177.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 45' ' ' SER . 72.1 m -68.24 -47.24 68.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.905 -0.589 . . . . 1.01 110.84 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 1.37 110.302 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.32 -51.55 69.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.638 -0.71 . . . . 1.66 110.48 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.9 m -68.05 -30.99 70.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.999 -0.546 . . . . 1.75 110.986 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.82 -61.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.992 -0.549 . . . . 1.47 111.751 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -73.77 -12.79 60.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.928 0.394 . . . . 2.32 111.239 -177.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.07 35.99 60.77 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.806 -0.634 . . . . 2.73 111.544 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.23 152.74 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.003 0.43 . . . . 1.67 111.228 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.2 p -139.91 -170.8 3.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.632 -0.713 . . . . 2.84 109.692 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.68 -13.63 15.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.52 0.676 . . . . 2.73 110.471 175.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.0 -23.38 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.295 0.569 . . . . 4.0 110.407 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.8 -18.81 61.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.842 -0.617 . . . . 3.62 109.371 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.407 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 9.5 t -77.09 -27.5 54.2 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.814 -0.63 . . . . 3.28 109.474 175.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.84 -38.32 90.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.882 -0.599 . . . . 3.46 110.015 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.58 19.98 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.841 -0.618 . . . . 2.39 111.481 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.01 144.05 30.15 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.107 -0.497 . . . . 1.89 112.203 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.459 HD13 HD22 ' B' ' 72' ' ' LEU . 96.1 mt -75.48 158.95 82.85 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.539 -0.755 . . . . 1.72 110.101 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -44.91 -47.07 12.3 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.097 2.532 . . . . 3.2 113.302 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -121.82 157.92 30.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.905 -0.406 . . . . 3.24 109.905 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.49 143.83 42.35 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.52 0.676 . . . . 1.98 109.835 176.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.597 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 2.9 mm? -68.56 -42.41 26.66 Favored Pre-proline 0 C--O 1.219 -0.552 0 CA-C-N 115.072 -0.967 . . . . 2.33 112.877 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -45.85 -34.59 12.48 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.405 2.07 . . . . 1.23 113.951 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.08 -44.96 71.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.993 0.425 . . . . 2.27 109.876 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.58 -38.98 74.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.373 0.606 . . . . 2.04 109.715 172.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 1.656 ' HE1' ' CE2' ' B' ' 76' ' ' PHE . 12.9 m-30 -62.27 -32.64 73.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.462 -0.79 . . . . 3.08 110.193 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.638 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 59.8 mt-10 -76.0 -16.53 59.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.967 0.413 . . . . 2.51 111.15 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.2 -36.11 16.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.046 0.45 . . . . 1.24 111.006 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.56 -52.04 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.512 0.56 . . . . 1.47 112.512 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 72' ' ' LEU . . . -70.26 -11.66 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.144 0.424 . . . . 1.7 112.144 -173.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.57 -18.9 61.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.927 0.394 . . . . 2.49 110.84 174.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.3 109.57 0.93 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.91 -0.586 . . . . 2.63 111.739 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 N-CA-C 109.002 -0.74 . . . . 4.9 109.002 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.5 mmm . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 121.058 0.456 . . . . 4.05 110.572 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.55 ' OD1' ' HG3' ' A' ' 19' ' ' LYS . 13.5 t70 -78.55 118.88 21.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 2.4 110.288 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -76.18 -27.47 56.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.478 -0.328 . . . . 2.52 111.417 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -58.48 -55.63 32.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.332 -0.394 . . . . 2.39 111.261 -174.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HG3' ' OD1' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -71.16 -22.79 62.0 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.768 -0.373 . . . . 1.98 111.143 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.531 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 83.3 mtm180 -75.69 -34.63 60.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.956 0.408 . . . . 3.0 110.583 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.651 ' HB2' ' CD2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -65.76 -35.41 80.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.869 -0.605 . . . . 1.28 109.611 178.583 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.42 -61.3 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.779 -0.646 . . . . 1.42 111.892 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.52 ' CE2' ' HA ' ' A' ' 20' ' ' ARG . 7.9 p90 -64.27 -34.44 78.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.914 0.388 . . . . 3.42 110.686 -174.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.51 98.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.784 -0.643 . . . . 1.62 110.787 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.2 mt -67.75 -41.8 85.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 1.54 110.031 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.6 mt -54.53 -56.05 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 1.37 111.719 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.44 -41.91 94.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 1.68 111.122 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 78.8 t80 -66.19 -45.09 82.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 2.76 110.227 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.564 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 5.4 mp -65.78 -27.46 68.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 1.28 111.082 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.69 -46.06 63.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.93 0.395 . . . . 1.62 110.317 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.91 -44.93 87.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 1.98 109.967 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -61.01 -33.08 72.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.919 -1.037 . . . . 1.92 110.995 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.564 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.3 -50.07 69.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 1.76 109.691 178.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -69.29 -25.3 64.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 4.02 110.929 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -83.24 -3.28 57.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.975 0.417 . . . . 3.46 111.438 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.35 39.92 98.33 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.901 -0.591 . . . . 0.58 112.784 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.03 -46.76 93.38 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.894 -0.669 . . . . 0.52 112.349 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.23 177.01 6.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.28 -0.267 . . . . 1.21 110.28 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 t -75.69 173.71 10.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.171 -0.307 . . . . 1.7 110.171 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -58.37 -53.01 63.14 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 111.599 0.222 . . . . 1.97 111.599 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -64.31 -39.6 94.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.159 0.504 . . . . 2.2 110.477 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -64.28 -37.68 88.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.56 -0.745 . . . . 1.13 110.781 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.521 ' O ' HD22 ' A' ' 33' ' ' LEU . 34.4 mt-30 -57.44 -59.82 4.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.928 -0.578 . . . . 1.74 110.752 175.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -46.83 -44.49 19.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.192 -0.913 . . . . 2.36 111.001 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -64.77 -33.71 76.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.805 -0.634 . . . . 1.64 111.257 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 27.3 mt -63.58 -46.34 86.3 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 121.155 -0.218 . . . . 1.81 110.528 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.44 -38.77 88.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 1.76 110.6 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.98 -48.55 85.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 1.23 110.064 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.86 89.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.93 -0.577 . . . . 1.12 111.066 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.414 HG23 HE21 ' A' ' 51' ' ' GLN . 34.5 mt -55.0 -53.47 33.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.525 . . . . 1.35 111.132 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.414 HE21 HG23 ' A' ' 50' ' ' ILE . 29.5 mm-40 -64.74 -33.91 77.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 1.84 111.133 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 79.8 m -67.87 -47.62 68.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.37 -0.377 . . . . 1.01 110.711 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.55 -42.05 98.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.876 0.37 . . . . 1.37 110.493 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.1 -52.23 66.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.569 -0.741 . . . . 1.65 110.404 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 m -68.23 -34.26 75.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.746 -0.661 . . . . 1.75 111.231 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 -55.65 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 1.47 111.799 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' A' ' 57' ' ' PHE . 78.5 m-85 -77.49 -4.95 48.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 2.33 111.393 -177.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.09 24.4 73.79 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.047 -0.597 . . . . 2.72 112.117 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.408 ' CG1' ' HB2' ' A' ' 19' ' ' LYS . 18.6 m -98.4 159.46 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.578 0.228 . . . . 1.67 110.691 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.6 p -141.11 -170.0 2.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.176 -0.466 . . . . 2.84 110.15 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 64' ' ' SER . 12.6 p -64.28 -20.37 26.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.266 0.555 . . . . 2.74 110.711 175.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -63.64 -37.63 88.06 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.482 0.658 . . . . 4.01 110.125 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.431 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 7.1 m-20 -68.46 -22.0 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 3.62 110.072 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 40.3 t -72.33 -25.44 61.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.173 -0.467 . . . . 3.27 109.881 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.58 -37.23 79.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 3.46 110.429 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.8 pp -83.77 29.61 0.53 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.127 0.489 . . . . 2.39 111.111 177.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HA ' ' HH ' ' A' ' 23' ' ' TYR . . . -50.96 143.24 10.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.687 -0.688 . . . . 1.89 112.417 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 72' ' ' LEU . 92.5 mt -81.35 161.72 61.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.332 -0.849 . . . . 1.72 110.496 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -47.75 -50.17 12.14 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.993 2.462 . . . . 3.19 113.256 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -116.75 160.18 21.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.022 -0.362 . . . . 3.24 110.022 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.9 p -72.99 142.48 47.75 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.474 0.654 . . . . 1.99 109.872 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.611 ' O ' ' HB ' ' A' ' 75' ' ' ILE . 10.8 mp -77.35 -37.17 1.62 Allowed Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.561 -0.745 . . . . 2.33 113.0 -172.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 81.5 Cg_exo -53.12 -31.27 53.93 Favored 'Trans proline' 0 C--N 1.348 0.516 0 CA-C-N 120.325 1.152 . . . . 1.23 111.741 168.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -74.08 -35.77 64.24 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.158 -0.474 . . . . 2.28 109.865 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.611 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 8.2 mm -53.26 -49.39 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.9 -0.591 . . . . 2.04 109.787 169.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.671 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -61.85 -46.65 88.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.404 -0.817 . . . . 3.08 111.477 -179.705 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.479 ' O ' ' HB ' ' A' ' 81' ' ' THR . 45.4 mt-10 -61.23 -21.66 64.07 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.955 -0.298 . . . . 2.52 111.213 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.88 -64.65 1.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.4 -0.364 . . . . 1.24 111.494 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.58 -47.03 18.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.159 0.504 . . . . 1.47 111.875 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.411 ' HB2' ' HG ' ' B' ' 72' ' ' LEU . . . -81.66 -1.14 45.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.613 -0.721 . . . . 1.7 112.236 -171.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.479 ' HB ' ' O ' ' A' ' 77' ' ' GLU . 6.3 t -70.28 -3.12 15.66 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.369 0.507 . . . . 2.49 112.369 -174.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.96 51.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 119.544 -1.313 . . . . 2.64 114.124 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.493 -0.765 . . . . 4.9 110.464 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 85.4 mmm . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.955 0.407 . . . . 4.05 110.455 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.56 ' OD1' ' HG3' ' B' ' 19' ' ' LYS . 13.5 t70 -78.45 119.06 21.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 2.42 110.229 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -76.28 -27.53 56.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.534 -0.303 . . . . 2.52 111.374 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -58.56 -55.68 31.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.406 -0.361 . . . . 2.39 111.267 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.56 ' HG3' ' OD1' ' B' ' 16' ' ' ASP . 0.1 OUTLIER -70.86 -23.05 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.706 -0.398 . . . . 1.97 111.175 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.535 ' N ' ' HD3' ' B' ' 19' ' ' LYS . 83.3 mtm180 -75.55 -34.65 60.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.408 . . . . 3.01 110.554 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.659 ' HB2' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -65.75 -35.32 80.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.905 -0.589 . . . . 1.27 109.638 178.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.46 -61.3 2.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.74 -0.663 . . . . 1.42 111.927 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.52 ' CE2' ' HA ' ' B' ' 20' ' ' ARG . 8.0 p90 -64.2 -34.49 78.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.986 0.422 . . . . 3.41 110.709 -174.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.64 98.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.722 -0.672 . . . . 1.62 110.845 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.0 mt -67.69 -41.83 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 1.54 110.006 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.4 HG21 HG21 ' B' ' 50' ' ' ILE . 67.2 mt -54.56 -55.86 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 1.37 111.718 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -60.72 -41.75 95.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 1.67 111.116 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 0.455 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 79.0 t80 -66.15 -45.07 82.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.125 -0.489 . . . . 2.76 110.294 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 5.4 mp -65.77 -27.5 68.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 1.28 111.167 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -70.81 -46.08 63.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.88 0.371 . . . . 1.63 110.175 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.85 -44.77 88.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.504 0.669 . . . . 1.98 110.074 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -61.11 -33.06 72.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.948 -1.024 . . . . 1.93 111.001 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.4 OUTLIER -64.33 -49.9 69.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.82 -0.627 . . . . 1.76 109.692 178.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -69.26 -25.67 64.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 4.03 110.803 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -83.01 -3.3 57.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.886 0.374 . . . . 3.47 111.409 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.56 39.71 97.92 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.58 112.731 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.08 -46.56 93.77 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.895 -0.669 . . . . 0.53 112.272 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.48 177.17 6.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.258 -0.275 . . . . 1.21 110.258 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.6 t -75.82 173.71 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.098 -0.334 . . . . 1.7 110.098 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -58.69 -52.71 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.622 0.248 . . . . 1.96 111.588 -173.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.35 -39.5 94.01 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.184 0.516 . . . . 2.21 110.576 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -64.23 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 1.13 110.769 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.515 ' O ' HD22 ' B' ' 33' ' ' LEU . 34.5 mt-30 -57.36 -59.79 4.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 1.74 110.788 175.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -46.93 -44.41 19.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.287 -0.869 . . . . 2.36 110.981 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.0 t -64.87 -33.65 76.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.799 -0.637 . . . . 1.64 111.239 -178.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 27.6 mt -63.59 -46.22 86.83 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 121.155 -0.218 . . . . 1.81 110.603 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.63 -38.48 87.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.951 0.405 . . . . 1.75 110.634 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 51.3 t -64.15 -48.6 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 1.23 110.085 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.69 -38.93 89.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.869 -0.605 . . . . 1.13 111.171 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.4 HG21 HG21 ' B' ' 26' ' ' ILE . 34.8 mt -55.0 -53.25 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 1.36 111.187 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -65.07 -33.77 76.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.445 -0.343 . . . . 1.84 111.081 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -67.9 -47.72 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.404 -0.362 . . . . 1.01 110.698 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.39 -42.08 98.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 1.37 110.443 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.06 -52.24 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 1.66 110.338 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 9.4 m -68.42 -34.05 75.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.772 -0.649 . . . . 1.75 111.211 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.93 17.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 1.47 111.641 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 1.643 ' HE1' ' CE2' ' B' ' 57' ' ' PHE . 78.5 m-85 -77.21 -5.13 48.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.899 0.38 . . . . 2.32 111.505 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.02 24.69 73.23 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.987 -0.625 . . . . 2.73 112.078 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.409 ' CG1' ' HB2' ' B' ' 19' ' ' LYS . 18.8 m -98.69 159.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.695 0.283 . . . . 1.67 110.779 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 38.2 p -141.14 -171.12 3.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.127 -0.488 . . . . 2.84 110.013 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' B' ' 64' ' ' SER . 12.4 p -63.54 -20.49 26.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.147 0.498 . . . . 2.73 110.667 175.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -63.46 -37.85 88.88 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.538 0.685 . . . . 4.0 110.162 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.447 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 7.0 m-20 -68.27 -22.07 64.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.672 -0.695 . . . . 3.62 110.114 177.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' B' ' 61' ' ' VAL . 38.9 t -72.27 -25.39 61.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.082 -0.508 . . . . 3.28 109.871 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -68.59 -37.08 79.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 3.46 110.402 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.8 pp -83.23 27.63 0.56 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.037 0.446 . . . . 2.39 111.298 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.486 ' HA ' ' HH ' ' B' ' 23' ' ' TYR . . . -49.73 143.1 7.71 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.728 -0.669 . . . . 1.89 112.604 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.43 HD13 HD13 ' B' ' 72' ' ' LEU . 92.6 mt -81.38 161.65 61.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.523 -0.762 . . . . 1.72 110.55 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -47.86 -49.67 13.25 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.977 2.451 . . . . 3.2 113.331 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -117.0 160.22 21.29 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.851 -0.426 . . . . 3.24 109.851 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 32.9 p -73.04 144.78 47.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.39 0.614 . . . . 1.98 109.505 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.623 ' O ' ' HB ' ' B' ' 75' ' ' ILE . 10.9 mp -79.2 -37.12 1.19 Allowed Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.547 -0.751 . . . . 2.33 112.902 -172.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 81.8 Cg_exo -53.14 -31.36 54.51 Favored 'Trans proline' 0 C--N 1.347 0.481 0 CA-C-N 120.167 1.095 . . . . 1.23 111.613 168.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.92 -35.84 64.64 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.195 -0.457 . . . . 2.27 109.81 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.623 ' HB ' ' O ' ' B' ' 72' ' ' LEU . 8.2 mm -53.25 -49.29 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.916 -0.584 . . . . 2.04 109.799 169.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 1.616 ' HD1' ' CD2' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -61.92 -46.75 87.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.293 -0.867 . . . . 3.08 111.518 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' B' ' 81' ' ' THR . 45.2 mt-10 -60.9 -22.91 64.8 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.91 -0.316 . . . . 2.51 111.012 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.23 -64.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.945 0.403 . . . . 1.24 111.846 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.76 -47.46 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.421 0.629 . . . . 1.47 111.934 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.411 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . . . -78.08 -7.65 57.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.213 -0.903 . . . . 1.7 112.217 -172.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' B' ' 77' ' ' GLU . 6.2 t -67.48 -2.23 6.13 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.548 0.573 . . . . 2.49 112.548 -172.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.78 51.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 119.541 -1.314 . . . . 2.63 113.985 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.372 -0.823 . . . . 4.9 110.406 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.081 -0.341 . . . . 4.05 110.081 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -73.93 115.67 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.407 -0.36 . . . . 2.4 110.308 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -81.78 -6.35 58.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.959 0.409 . . . . 2.52 109.909 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -62.72 -46.46 88.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 2.39 110.767 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 20' ' ' ARG . 12.9 ptpt -65.96 -34.64 78.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 1.98 110.418 178.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.596 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 95.5 mtt180 -71.18 -37.24 72.18 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.602 -0.726 . . . . 3.0 109.791 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.549 HD11 ' CD2' ' B' ' 76' ' ' PHE . 8.7 tp -55.83 -47.52 77.08 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.958 -1.019 . . . . 1.28 110.121 172.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.1 -60.23 3.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.876 -0.602 . . . . 1.42 112.51 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 1.66 ' HD1' ' CD2' ' A' ' 23' ' ' TYR . 1.8 p90 -64.07 -37.96 89.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.762 0.315 . . . . 3.42 110.966 -172.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 1.62 110.657 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.448 ' CG2' HD23 ' A' ' 29' ' ' LEU . 23.4 mt -64.2 -43.97 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 1.54 109.879 173.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.12 -46.35 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 1.37 111.028 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 27.1 mm-40 -56.35 -52.07 65.94 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.898 0.38 . . . . 1.68 110.903 -178.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.641 ' HD1' ' CD2' ' A' ' 28' ' ' PHE . 28.9 t80 -70.44 -47.86 58.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.977 -0.556 . . . . 2.76 111.298 -178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 8.8 mp -65.21 -28.79 69.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.761 0.282 . . . . 1.28 111.761 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -67.09 -43.59 82.18 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.945 -0.391 . . . . 1.62 109.945 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.72 -45.59 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 1.98 109.91 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.422 HE21 ' HB3' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -59.45 -38.55 81.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.306 -0.861 . . . . 1.92 111.054 178.008 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.31 -45.99 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.625 -0.509 . . . . 1.76 109.625 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -68.59 -34.95 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.784 -0.644 . . . . 4.02 110.559 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -73.28 -35.81 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.657 -0.702 . . . . 3.46 111.458 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.77 43.69 2.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.918 -0.658 . . . . 0.58 112.214 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.18 -65.66 2.82 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.004 -0.617 . . . . 0.52 112.855 -177.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.88 -174.78 5.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.7 0.286 . . . . 1.21 111.191 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.8 m -77.24 177.87 7.55 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.89 0.329 . . . . 1.7 111.89 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 p -59.6 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.97 112.047 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.49 -32.67 72.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.296 0.57 . . . . 2.2 110.683 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.86 65.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.455 -0.793 . . . . 1.13 110.707 177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -52.37 -60.26 3.44 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.266 0.626 . . . . 1.74 112.621 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' O ' HG21 ' A' ' 48' ' ' VAL . 9.5 pt-20 -53.51 -44.52 69.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.845 0.313 . . . . 2.36 111.845 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.6 m -65.71 -34.72 78.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.579 0.705 . . . . 1.64 110.151 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.502 ' O ' HG13 ' A' ' 50' ' ' ILE . 21.8 tp -70.23 -35.41 73.82 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.069 -0.968 . . . . 1.81 110.763 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.13 -39.02 92.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.116 0.484 . . . . 1.76 109.802 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 44' ' ' GLU . 54.5 t -62.75 -42.53 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.65 . . . . 1.23 109.725 175.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.78 -40.71 76.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.743 -0.662 . . . . 1.12 111.252 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 46' ' ' LEU . 70.7 mt -55.48 -52.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 1.35 110.922 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.82 -27.73 65.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 1.84 111.461 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 70.7 m -70.79 -45.74 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.017 -0.273 . . . . 1.01 110.471 177.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.27 -41.94 99.06 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.663 -0.495 . . . . 1.37 109.663 175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -50.07 -56.07 12.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.756 -1.111 . . . . 1.65 110.615 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.0 m -69.55 -35.26 75.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.436 -0.802 . . . . 1.75 111.527 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.0 -56.61 13.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 1.47 112.059 -176.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -80.13 -5.51 56.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.892 0.377 . . . . 2.33 111.192 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.49 32.86 71.65 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.036 -0.602 . . . . 2.72 111.752 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -104.6 148.4 9.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.028 0.442 . . . . 1.67 111.021 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.0 p -137.94 -168.45 2.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.634 -0.712 . . . . 2.84 110.251 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.02 -21.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.988 0.423 . . . . 2.74 110.473 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -63.82 -42.56 97.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.56 0.695 . . . . 4.01 109.711 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -73.32 -15.27 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.604 -0.725 . . . . 3.62 110.148 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.427 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 15.7 m -86.9 -11.95 49.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.707 -0.679 . . . . 3.27 109.842 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 67' ' ' ALA . 27.2 t70 -81.7 -32.08 31.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 3.46 110.282 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -80.15 28.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.2 0.524 . . . . 2.39 110.533 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' ' 65' ' ' ASP . . . -49.83 133.29 22.06 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.102 -0.954 . . . . 1.89 112.58 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' HG ' ' HH ' ' A' ' 23' ' ' TYR . 63.9 mt -73.37 158.53 86.52 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 114.726 -1.124 . . . . 1.72 110.125 177.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -40.55 -46.84 4.55 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.47 2.78 . . . . 3.19 113.596 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -128.76 153.34 47.47 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.698 -0.482 . . . . 3.24 109.698 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.85 139.97 57.78 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.576 0.703 . . . . 1.99 110.911 177.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.813 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 37.3 mt -71.74 -35.13 3.46 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 113.994 1.109 . . . . 2.33 113.994 -170.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -50.49 -30.58 28.1 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.497 1.464 . . . . 1.23 112.731 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.26 -38.86 63.32 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.725 0.298 . . . . 2.28 110.345 176.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 20.8 mm -54.19 -48.09 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 121.286 0.565 . . . . 2.04 109.915 173.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.809 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 0.4 OUTLIER -63.63 -40.09 96.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.337 -0.847 . . . . 3.08 111.276 179.008 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.35 -29.99 70.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.267 0.555 . . . . 2.52 110.346 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.26 -52.44 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 1.24 111.891 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.82 -44.19 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.681 0.623 . . . . 1.47 112.681 -170.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.91 -9.76 59.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.302 0.482 . . . . 1.7 112.302 -169.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -72.13 2.2 6.23 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.394 0.516 . . . . 2.49 112.394 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.16 156.25 9.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.899 -0.667 . . . . 2.64 112.358 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.778 -0.629 . . . . 4.9 111.636 179.509 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.916 -0.402 . . . . 4.05 109.916 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -73.86 115.82 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.318 -0.401 . . . . 2.42 110.369 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -81.76 -6.55 59.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.093 0.473 . . . . 2.52 109.934 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -62.66 -46.56 87.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 2.39 110.785 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' B' ' 20' ' ' ARG . 12.9 ptpt -65.87 -34.74 78.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.069 0.462 . . . . 1.97 110.339 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.593 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . 95.5 mtt180 -71.05 -37.34 72.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.683 -0.69 . . . . 3.01 109.891 -178.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.556 HD11 ' CD2' ' A' ' 76' ' ' PHE . 8.8 tp -55.68 -47.56 76.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.928 -1.033 . . . . 1.27 110.143 172.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.2 -60.14 4.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.911 -0.586 . . . . 1.42 112.53 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 1.642 ' HE1' ' CE2' ' B' ' 23' ' ' TYR . 1.9 p90 -64.11 -37.88 89.06 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.862 -0.335 . . . . 3.41 110.936 -172.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.96 0.41 . . . . 1.62 110.621 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.442 ' CG2' HD23 ' B' ' 29' ' ' LEU . 23.0 mt -64.24 -43.93 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.819 -0.628 . . . . 1.54 109.857 173.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.13 -46.23 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.37 111.085 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 27.8 mm-40 -56.41 -51.98 66.33 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.901 0.381 . . . . 1.67 110.96 -178.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 1.641 ' HE2' ' CE1' ' B' ' 28' ' ' PHE . 29.0 t80 -70.48 -47.86 58.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.945 -0.57 . . . . 2.76 111.326 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 8.8 mp -65.36 -28.64 69.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.765 0.283 . . . . 1.28 111.765 -176.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -67.16 -43.75 81.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.891 -0.411 . . . . 1.63 109.891 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.73 -45.36 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 1.98 109.82 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.62 -38.47 81.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.386 -0.825 . . . . 1.93 111.06 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -63.37 -46.05 88.29 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.668 -0.493 . . . . 1.76 109.668 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -68.52 -35.25 77.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.68 . . . . 4.03 110.391 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -73.05 -35.93 66.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.84 -0.618 . . . . 3.47 111.416 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.28 42.81 2.69 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.836 -0.697 . . . . 0.58 112.258 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.72 -65.47 2.95 Favored Glycine 0 C--O 1.235 0.172 0 C-N-CA 121.009 -0.615 . . . . 0.53 112.986 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.95 -174.91 5.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.688 0.28 . . . . 1.21 111.157 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 32.2 m -77.1 177.92 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.458 -0.337 . . . . 1.7 111.891 -177.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.0 p -60.0 -63.66 1.22 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.322 -0.399 . . . . 1.96 112.052 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.75 -32.83 73.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.189 0.519 . . . . 2.21 110.604 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.1 64.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.496 -0.774 . . . . 1.13 110.827 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -52.21 -60.22 3.46 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 112.716 0.635 . . . . 1.74 112.716 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.434 ' O ' HG21 ' B' ' 48' ' ' VAL . 9.5 pt-20 -53.61 -44.52 69.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.58 -0.282 . . . . 2.36 111.728 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -65.76 -34.68 78.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.532 0.682 . . . . 1.64 110.092 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.479 ' O ' HG13 ' B' ' 50' ' ' ILE . 22.0 tp -70.25 -35.45 73.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.143 -0.935 . . . . 1.81 110.658 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.09 -38.98 92.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.116 0.484 . . . . 1.75 109.806 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.434 HG21 ' O ' ' B' ' 44' ' ' GLU . 54.3 t -62.8 -42.47 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.797 -0.638 . . . . 1.23 109.643 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.91 -40.64 76.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.761 -0.654 . . . . 1.13 111.208 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 46' ' ' LEU . 70.8 mt -55.36 -52.86 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 1.36 110.993 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.75 -27.76 65.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 1.84 111.577 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 70.9 m -70.76 -45.7 64.28 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.007 -0.277 . . . . 1.01 110.509 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.32 -41.97 98.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.16 0.505 . . . . 1.37 109.668 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -49.9 -56.02 12.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.762 -1.108 . . . . 1.66 110.746 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 27.5 m -69.89 -34.73 73.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.32 -0.855 . . . . 1.75 111.627 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.28 -56.6 13.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 1.47 112.059 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -80.25 -5.44 56.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.81 0.338 . . . . 2.32 111.183 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.73 32.52 70.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.902 -0.666 . . . . 2.73 111.834 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -104.64 148.44 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.99 0.424 . . . . 1.67 111.021 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 30.2 p -138.26 -170.26 2.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.532 -0.758 . . . . 2.84 110.219 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.3 p -60.67 -21.12 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.931 0.396 . . . . 2.73 110.511 175.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -63.76 -42.47 97.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.524 0.678 . . . . 4.0 109.883 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -73.47 -15.23 61.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.585 -0.734 . . . . 3.62 110.112 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.426 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 15.4 m -86.5 -12.68 48.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.708 -0.678 . . . . 3.28 109.859 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' B' ' 67' ' ' ALA . 27.3 t70 -81.17 -32.42 33.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.966 -0.561 . . . . 3.46 110.262 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.5 27.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.184 0.516 . . . . 2.39 110.691 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' B' ' 65' ' ' ASP . . . -48.78 133.12 17.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.015 -0.993 . . . . 1.89 112.679 -176.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 63.4 mt -73.32 158.52 86.6 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 114.832 -1.076 . . . . 1.72 110.042 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -40.64 -46.66 4.65 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.606 2.871 . . . . 3.2 113.699 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -128.61 154.47 46.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.604 -0.517 . . . . 3.24 109.604 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.83 143.55 54.54 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.66 0.743 . . . . 1.98 110.128 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.809 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 37.1 mt -74.3 -35.01 2.11 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 114.95 -1.023 . . . . 2.33 113.654 -170.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -50.46 -30.56 27.81 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.47 1.447 . . . . 1.23 112.746 171.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.31 -38.75 63.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.657 0.265 . . . . 2.27 110.375 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' B' ' 72' ' ' LEU . 20.8 mm -54.37 -48.02 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 121.273 0.558 . . . . 2.04 109.912 173.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.813 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -63.62 -40.16 96.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.329 -0.851 . . . . 3.08 111.211 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.36 -30.34 70.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.24 0.543 . . . . 2.51 110.237 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.65 -52.47 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.835 -0.62 . . . . 1.24 112.064 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.83 -44.51 10.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.812 0.671 . . . . 1.47 112.812 -170.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.86 -11.67 60.91 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.325 0.491 . . . . 1.7 112.325 -169.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -70.71 1.8 4.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.625 0.602 . . . . 2.49 112.625 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.38 156.08 9.64 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.777 -0.725 . . . . 2.63 112.443 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.822 -0.609 . . . . 4.9 111.717 179.553 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 47.3 ttp . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.278 -0.267 . . . . 4.05 110.278 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -105.23 130.48 53.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.067 0.46 . . . . 2.4 111.381 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.496 HD22 ' HB3' ' B' ' 76' ' ' PHE . 2.4 t-20 -82.34 -41.98 19.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.358 -0.837 . . . . 2.52 111.077 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -62.38 -48.1 81.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.975 -0.557 . . . . 2.39 111.812 -172.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -68.89 -28.22 66.49 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.786 -0.366 . . . . 1.98 111.313 -179.042 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.522 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 95.8 mtt180 -75.73 -36.22 59.99 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.761 -0.375 . . . . 3.0 110.137 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.92 -45.17 91.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.58 -0.737 . . . . 1.28 110.601 175.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.502 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -57.6 -65.96 0.55 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 1.42 112.664 -176.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 1.661 ' HE1' ' CE2' ' A' ' 23' ' ' TYR . 3.2 p90 -62.95 -33.34 75.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 3.42 110.626 -172.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.416 ' HB2' ' CG ' ' A' ' 72' ' ' LEU . . . -61.86 -42.47 99.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.662 -0.699 . . . . 1.62 111.194 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 55.5 mt -68.56 -36.25 73.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.839 -0.619 . . . . 1.54 109.923 175.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 22' ' ' ALA . 65.9 mt -58.82 -38.79 74.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.324 -0.398 . . . . 1.37 110.193 174.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 31.2 mm-40 -54.51 -52.09 63.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.349 0.595 . . . . 1.68 110.638 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.473 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 66.2 t80 -69.22 -48.15 62.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.358 -0.837 . . . . 2.76 110.567 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.554 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 8.6 mp -61.16 -30.75 70.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 1.28 111.753 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -59.92 -57.74 11.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.111 0.482 . . . . 1.62 110.71 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -34.69 71.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.938 -0.574 . . . . 1.98 110.652 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -64.37 -32.87 74.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.768 -0.651 . . . . 1.92 110.467 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.554 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -62.51 -54.15 44.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.622 -0.717 . . . . 1.76 109.599 178.664 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.502 -0.772 . . . . 4.02 111.017 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -83.39 -15.17 50.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 3.46 111.021 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.77 42.89 15.89 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.113 -0.565 . . . . 0.58 112.42 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.5 -44.48 96.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.062 -0.59 . . . . 0.52 112.988 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.04 -176.08 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.571 0.224 . . . . 1.21 110.818 -178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -73.62 -176.84 2.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.378 -0.373 . . . . 1.7 110.895 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 p -62.92 -60.92 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.001 0.371 . . . . 1.97 112.001 -175.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.32 -37.56 85.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.291 0.567 . . . . 2.2 110.444 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' B' ' 56' ' ' ALA . . . -60.99 -39.17 88.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.287 -0.869 . . . . 1.13 110.929 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.518 ' O ' HD22 ' A' ' 33' ' ' LEU . 8.9 tt0 -59.47 -53.6 56.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.713 -0.676 . . . . 1.74 110.316 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -56.99 -34.22 67.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.024 -0.535 . . . . 2.36 110.732 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -70.07 -27.46 64.64 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.698 -0.683 . . . . 1.64 111.232 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 55.7 mt -62.94 -49.46 74.66 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.774 -0.454 . . . . 1.81 109.774 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.63 -42.4 83.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 1.76 110.751 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.0 -48.89 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.23 110.2 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.94 80.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.806 -0.634 . . . . 1.12 111.367 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 46' ' ' LEU . 63.5 mt -55.57 -52.52 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 1.35 110.525 176.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -64.9 -35.73 82.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 1.84 110.57 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.1 m -66.02 -51.69 56.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 1.01 110.973 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.6 mt -67.71 -35.73 79.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.392 0.139 . . . . 1.37 111.209 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 28.4 tt0 -56.96 -50.45 72.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.186 0.517 . . . . 1.65 109.684 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.7 m -72.11 -28.21 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.445 -0.798 . . . . 1.75 111.249 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' B' ' 42' ' ' ALA . . . -74.54 -56.05 5.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.168 -0.469 . . . . 1.47 112.015 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 22' ' ' ALA . 46.6 m-85 -73.81 -12.61 60.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.955 0.407 . . . . 2.33 111.033 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.14 34.99 31.56 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.815 -0.63 . . . . 2.72 111.91 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 27.7 m -107.51 163.06 5.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.676 0.274 . . . . 1.67 110.479 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.0 p -142.58 -172.48 3.64 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.007 -0.542 . . . . 2.84 110.317 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 64' ' ' SER . 14.4 p -67.83 -18.68 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.214 0.531 . . . . 2.74 110.34 174.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.65 -39.4 80.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 4.01 109.739 173.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -71.41 -20.02 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.585 -0.734 . . . . 3.62 109.529 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.486 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 38.7 t -76.02 -23.55 55.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.319 -0.855 . . . . 3.27 110.034 173.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.39 -34.85 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 3.46 110.733 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp -82.08 26.92 0.5 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.362 -0.381 . . . . 2.39 111.364 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.522 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -52.19 133.19 34.02 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.986 0.735 . . . . 1.89 112.986 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.39 145.37 98.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.359 -0.837 . . . . 1.72 110.333 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.22 -49.8 15.77 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.156 2.571 . . . . 3.19 112.528 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.466 HE22 ' HB3' ' B' ' 83' ' ' LYS . 22.1 pt20 -75.56 141.29 42.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.348 -0.842 . . . . 3.24 110.24 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.554 ' O ' HG12 ' A' ' 75' ' ' ILE . 2.3 p -76.36 135.09 39.51 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.541 -0.54 . . . . 1.99 109.541 174.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.417 ' HB2' ' HD3' ' A' ' 73' ' ' PRO . 3.8 mm? -81.36 -50.1 0.95 Allowed Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 113.562 0.949 . . . . 2.33 113.562 -165.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.546 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 68.5 Cg_exo -57.08 -28.91 81.08 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.046 1.164 . . . . 1.23 111.955 172.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.75 -45.4 64.88 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.966 0.412 . . . . 2.28 110.223 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 71' ' ' THR . 23.6 mm -58.34 -38.24 68.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.564 0.697 . . . . 2.04 109.759 173.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.492 ' HB3' HD22 ' B' ' 17' ' ' ASN . 2.2 t80 -63.97 -31.35 72.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.046 -0.979 . . . . 3.08 110.24 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 43.3 mt-10 -67.58 -42.86 81.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.095 0.474 . . . . 2.52 110.557 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.02 -51.64 15.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.073 -0.512 . . . . 1.24 111.844 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.79 -64.23 1.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 1.47 111.703 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.68 69.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.707 -0.678 . . . . 1.7 111.922 -171.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.535 ' HB ' ' O ' ' A' ' 77' ' ' GLU . 3.7 m -95.75 -8.67 33.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.329 0.585 . . . . 2.49 110.617 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.14 -36.27 6.03 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.877 -0.677 . . . . 2.64 112.312 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HB3' HE22 ' B' ' 70' ' ' GLN . 28.8 tptp . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.384 -0.817 . . . . 4.9 110.015 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.714 0.292 . . . . 4.05 110.404 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -105.08 130.63 53.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.13 0.491 . . . . 2.42 111.307 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.492 HD22 ' HB3' ' A' ' 76' ' ' PHE . 2.4 t-20 -82.52 -42.17 18.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.319 -0.855 . . . . 2.52 110.902 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -62.25 -48.1 81.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 2.39 111.753 -172.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' B' ' 20' ' ' ARG . 0.1 OUTLIER -68.94 -28.23 66.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.703 -0.399 . . . . 1.97 111.329 -178.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.522 ' N ' ' HD3' ' B' ' 19' ' ' LYS . 95.8 mtt180 -75.63 -36.32 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 3.01 110.14 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.81 -45.21 90.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.587 -0.733 . . . . 1.27 110.628 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.51 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -57.59 -66.05 0.53 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 1.42 112.615 -176.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 1.63 ' HE1' ' CE2' ' B' ' 23' ' ' TYR . 3.2 p90 -62.84 -33.41 75.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 3.41 110.623 -172.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.414 ' HB2' ' CG ' ' B' ' 72' ' ' LEU . . . -61.76 -42.61 99.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.575 -0.739 . . . . 1.62 111.118 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 55.8 mt -68.56 -36.21 73.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.887 -0.597 . . . . 1.54 109.935 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' B' ' 23' ' ' TYR . 65.8 mt -58.85 -38.84 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.307 -0.406 . . . . 1.37 110.208 174.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 31.4 mm-40 -54.32 -52.3 61.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.338 0.589 . . . . 1.67 110.667 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 0.464 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 66.1 t80 -69.21 -47.99 63.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.314 -0.857 . . . . 2.76 110.605 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 8.6 mp -61.18 -30.79 70.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 1.28 111.754 -178.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -59.86 -57.68 11.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.1 0.476 . . . . 1.63 110.724 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -34.89 71.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.94 -0.573 . . . . 1.98 110.63 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -64.07 -33.02 74.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.725 -0.67 . . . . 1.93 110.466 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.6 OUTLIER -62.5 -53.89 48.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.654 -0.703 . . . . 1.76 109.606 178.839 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -69.47 -25.65 64.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.479 -0.782 . . . . 4.03 110.909 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -83.81 -14.82 50.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.867 0.365 . . . . 3.47 111.099 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.82 42.29 17.13 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.971 -0.633 . . . . 0.58 112.449 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.97 -44.97 96.6 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.96 -0.638 . . . . 0.53 113.015 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.57 -176.08 3.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.613 0.244 . . . . 1.21 110.84 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -73.58 -177.02 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 1.7 110.799 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.0 p -62.64 -61.19 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.045 0.387 . . . . 1.96 112.045 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -66.04 -37.6 86.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.27 0.557 . . . . 2.21 110.478 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 56' ' ' ALA . . . -61.03 -39.05 88.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.385 -0.825 . . . . 1.13 110.97 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.525 ' O ' HD22 ' B' ' 33' ' ' LEU . 8.9 tt0 -59.54 -53.69 55.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.657 -0.701 . . . . 1.74 110.299 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -56.93 -34.03 67.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 2.36 110.785 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -70.42 -27.31 64.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.706 -0.679 . . . . 1.64 111.155 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.484 ' HB2' ' CD2' ' B' ' 33' ' ' LEU . 56.3 mt -62.93 -49.57 74.25 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.847 -0.427 . . . . 1.81 109.847 176.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.73 -42.28 83.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.791 -0.64 . . . . 1.75 110.818 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.01 -48.84 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 1.23 110.216 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.92 80.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.636 . . . . 1.13 111.386 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.441 HG13 ' O ' ' B' ' 46' ' ' LEU . 63.5 mt -55.64 -52.42 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 1.36 110.565 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -64.87 -36.04 83.06 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.163 -0.471 . . . . 1.84 110.426 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 83.3 m -65.76 -51.83 55.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 1.01 110.984 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.0 mt -67.62 -35.65 79.33 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.348 -0.141 . . . . 1.37 111.248 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 28.7 tt0 -56.98 -50.46 72.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.267 0.555 . . . . 1.66 109.682 177.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.9 m -72.18 -28.2 63.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.413 -0.812 . . . . 1.75 111.263 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -74.66 -56.02 5.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 1.47 111.972 -176.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.51 ' CD2' ' HB3' ' B' ' 22' ' ' ALA . 47.3 m-85 -73.68 -12.77 60.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.846 0.355 . . . . 2.32 111.085 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.17 35.19 30.95 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.993 -0.622 . . . . 2.73 111.909 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.419 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 28.2 m -107.7 162.41 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.747 0.308 . . . . 1.67 110.368 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -141.68 -172.28 3.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.784 -0.644 . . . . 2.84 110.424 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' B' ' 64' ' ' SER . 14.3 p -68.05 -18.44 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.27 0.557 . . . . 2.73 110.317 174.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.71 -39.39 80.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 4.0 109.761 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.28 -20.06 62.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.538 -0.755 . . . . 3.62 109.657 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.485 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 38.4 t -76.01 -23.38 55.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.387 -0.824 . . . . 3.28 110.074 173.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.64 -34.73 67.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 3.46 110.775 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -81.83 26.34 0.51 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.311 -0.404 . . . . 2.39 111.45 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.528 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -51.85 133.01 32.29 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.012 0.745 . . . . 1.89 113.012 -176.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.28 145.46 98.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.22 -0.9 . . . . 1.72 110.29 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.57 -49.33 17.22 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 123.06 2.507 . . . . 3.2 112.667 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . 0.456 HE22 ' HB3' ' A' ' 83' ' ' LYS . 22.1 pt20 -75.92 141.75 42.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.359 -0.837 . . . . 3.24 110.108 -177.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.6 ' O ' HG12 ' B' ' 75' ' ' ILE . 1.6 p -76.92 140.36 40.49 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.553 -0.906 . . . . 1.98 108.553 175.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.434 ' HB2' ' HD3' ' B' ' 73' ' ' PRO . 3.8 mm? -84.03 -50.76 0.62 Allowed Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 113.578 0.955 . . . . 2.33 113.578 -166.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.542 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 69.9 Cg_exo -56.98 -28.84 80.19 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 121.194 1.263 . . . . 1.23 111.862 173.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.96 -45.27 64.41 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.886 0.374 . . . . 2.27 110.292 176.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.6 HG12 ' O ' ' B' ' 71' ' ' THR . 23.6 mm -58.28 -38.34 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 2.04 109.884 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.496 ' HB3' HD22 ' A' ' 17' ' ' ASN . 2.2 t80 -63.91 -31.33 72.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.025 -0.988 . . . . 3.08 110.257 178.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.547 ' O ' ' HB ' ' B' ' 81' ' ' THR . 43.7 mt-10 -67.49 -42.95 82.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.017 0.436 . . . . 2.51 110.54 176.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.01 -51.72 15.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 1.24 111.664 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.35 -62.52 1.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.097 0.475 . . . . 1.47 111.905 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.69 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.852 -0.613 . . . . 1.7 111.815 -171.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.547 ' HB ' ' O ' ' B' ' 77' ' ' GLU . 3.8 m -95.6 -8.83 33.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.249 0.547 . . . . 2.49 110.626 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.08 -36.28 6.04 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.856 -0.688 . . . . 2.63 112.276 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . 0.466 ' HB3' HE22 ' A' ' 70' ' ' GLN . 28.8 tptp . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.383 -0.817 . . . . 4.9 109.883 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.996 0.426 . . . . 4.05 110.454 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -59.55 127.26 31.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.83 -0.623 . . . . 2.4 111.142 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -66.93 -33.77 76.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.684 -0.689 . . . . 2.52 110.26 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.86 -48.85 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.858 -0.61 . . . . 2.39 111.629 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' A' ' 19' ' ' LYS . 20.4 ptmt -69.6 -35.92 75.74 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.901 -0.32 . . . . 1.98 111.166 -177.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 48.0 mtm105 -72.04 -33.99 68.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.097 0.475 . . . . 3.0 110.384 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' B' ' 76' ' ' PHE . 6.1 tp -59.56 -47.76 84.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.176 -0.92 . . . . 1.28 110.832 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -60.65 -62.26 1.99 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.815 0.672 . . . . 1.42 112.815 -175.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 1.635 ' HE1' ' CE2' ' A' ' 23' ' ' TYR . 4.2 p90 -60.74 -37.97 83.6 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.891 0.377 . . . . 3.42 111.325 -170.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.15 99.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.986 -0.552 . . . . 1.62 110.969 -177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.403 ' O ' HD11 ' A' ' 29' ' ' LEU . 46.3 mt -72.43 -38.34 60.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.078 -0.51 . . . . 1.54 109.908 177.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.33 -49.45 52.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 1.37 111.496 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -60.02 -45.32 93.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 1.68 111.162 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.639 ' HE1' ' CE2' ' A' ' 28' ' ' PHE . 86.0 t80 -66.69 -37.88 85.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.244 0.545 . . . . 2.76 110.689 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.48 ' HA ' HE21 ' A' ' 32' ' ' GLN . 7.2 mp -70.9 -28.18 64.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 1.28 110.823 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -61.44 -46.04 91.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 1.62 110.103 174.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.15 -50.75 70.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 1.98 110.204 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.48 HE21 ' HA ' ' A' ' 29' ' ' LEU . 19.2 mt-30 -52.68 -40.93 63.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 1.92 111.521 176.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -51.38 69.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.687 -0.688 . . . . 1.76 111.006 -176.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -91.59 -14.56 30.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.327 0.492 . . . . 4.02 112.327 -171.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -93.29 -7.42 45.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 3.46 111.143 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.59 43.05 10.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.58 112.667 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.39 -73.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.52 111.795 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 38' ' ' LEU . 3.2 mm? -69.02 170.56 9.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.255 -0.276 . . . . 1.21 110.255 174.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -71.25 165.5 23.53 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.304 -0.258 . . . . 1.7 110.304 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -57.44 -54.16 49.97 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.747 0.277 . . . . 1.97 111.747 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.85 -36.15 74.11 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.269 0.557 . . . . 2.2 110.547 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' B' ' 56' ' ' ALA . . . -67.05 -48.0 69.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.331 -0.85 . . . . 1.13 110.514 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -49.22 -58.24 5.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.69 -0.686 . . . . 1.74 111.779 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.46 ' O ' HG21 ' A' ' 48' ' ' VAL . 41.1 mt-10 -43.32 -53.59 5.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.314 -0.857 . . . . 2.36 111.92 177.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.9 t -73.81 -28.11 61.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.47 . . . . 1.64 110.639 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.85 -44.22 90.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 1.81 110.894 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.94 -36.14 81.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.844 0.354 . . . . 1.76 110.112 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 44' ' ' GLU . 94.5 t -60.43 -44.45 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.71 -0.478 . . . . 1.23 109.71 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.72 81.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.713 -0.676 . . . . 1.12 111.18 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.6 mt -54.92 -57.23 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 1.35 111.261 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -63.6 -31.74 73.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.467 -0.333 . . . . 1.84 111.72 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.1 m -69.11 -44.95 71.4 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.091 -0.244 . . . . 1.01 110.676 178.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.96 -39.75 93.21 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.056 0.455 . . . . 1.37 109.957 176.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -52.56 -55.97 18.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.132 -0.94 . . . . 1.65 110.831 177.146 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.7 m -72.17 -34.99 68.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.211 -0.45 . . . . 1.75 111.314 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.5 64.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.365 -0.38 . . . . 1.47 111.467 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 22' ' ' ALA . 79.0 m-85 -82.56 -10.19 59.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.852 0.358 . . . . 2.33 111.371 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.16 28.17 66.87 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.065 -0.588 . . . . 2.72 111.912 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.572 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 29.8 m -100.6 156.78 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.919 0.39 . . . . 1.67 110.577 -177.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.9 p -137.96 -174.64 3.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.86 -0.609 . . . . 2.84 110.609 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.09 -22.9 32.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.956 0.408 . . . . 2.74 110.428 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' HA ' ' OD2' ' A' ' 65' ' ' ASP . 33.5 mm-40 -64.12 -39.9 95.03 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.823 0.821 . . . . 4.01 109.775 175.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -72.12 -11.08 60.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.142 -0.935 . . . . 3.62 110.179 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 31.7 t -87.98 -18.84 28.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.683 -0.689 . . . . 3.27 109.743 175.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 67' ' ' ALA . 33.7 m-20 -72.14 -34.51 68.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.222 -0.444 . . . . 3.46 110.303 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.93 27.46 0.23 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.186 -0.461 . . . . 2.39 110.945 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 65' ' ' ASP . . . -48.42 130.45 16.65 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.254 -0.885 . . . . 1.89 112.78 -176.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.401 HD13 HD12 ' A' ' 72' ' ' LEU . 96.4 mt -69.85 159.08 85.49 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 114.939 -1.028 . . . . 1.72 110.548 177.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -44.81 -50.57 8.33 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.311 2.674 . . . . 3.19 113.321 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -118.43 152.63 35.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.036 -0.529 . . . . 3.24 109.951 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.3 p -73.17 141.4 47.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.461 0.648 . . . . 1.99 110.074 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.655 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 10.1 mp -69.98 -42.59 17.93 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.115 -0.948 . . . . 2.33 113.082 -172.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.45 -31.38 68.4 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.465 1.443 . . . . 1.23 112.197 171.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -74.52 -37.69 63.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.75 0.31 . . . . 2.28 110.227 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.1 mt -55.56 -51.02 62.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.343 0.592 . . . . 2.04 110.242 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.668 ' HD1' ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -61.78 -36.27 80.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.35 -0.841 . . . . 3.08 111.975 -178.785 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -54.54 -35.41 63.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.098 0.475 . . . . 2.52 109.862 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.62 -55.6 3.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.081 -0.509 . . . . 1.24 111.528 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.85 -57.36 4.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.627 0.602 . . . . 1.47 112.627 -172.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.37 -21.71 61.25 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.301 0.482 . . . . 1.7 112.301 -169.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.448 ' HA ' ' NH1' ' B' ' 20' ' ' ARG . 50.7 m -74.63 -28.41 60.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.711 0.263 . . . . 2.49 111.711 -178.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -176.66 115.46 0.52 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 119.671 -1.252 . . . . 2.64 113.368 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.74 -0.647 . . . . 4.9 109.386 173.204 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.963 0.411 . . . . 4.05 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.75 127.41 31.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.83 -0.623 . . . . 2.42 111.119 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -66.98 -33.78 76.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.693 -0.685 . . . . 2.52 110.227 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.87 -48.83 80.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.888 -0.596 . . . . 2.39 111.609 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 19' ' ' LYS . 20.4 ptmt -69.58 -35.88 75.76 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.899 -0.32 . . . . 1.97 111.2 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.448 ' NH1' ' HA ' ' A' ' 81' ' ' THR . 48.0 mtm105 -72.1 -34.01 68.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.163 0.506 . . . . 3.01 110.397 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.532 HD11 ' CD2' ' A' ' 76' ' ' PHE . 6.1 tp -59.51 -47.81 84.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.189 -0.914 . . . . 1.27 110.771 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.438 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -60.7 -62.24 2.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.741 0.645 . . . . 1.42 112.741 -175.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 1.658 ' HE1' ' CE2' ' B' ' 23' ' ' TYR . 4.3 p90 -60.84 -38.01 84.03 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.904 0.383 . . . . 3.41 111.221 -170.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.31 99.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.54 . . . . 1.62 110.975 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.404 ' O ' HD11 ' B' ' 29' ' ' LEU . 46.4 mt -72.29 -38.38 61.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.096 -0.502 . . . . 1.54 109.964 177.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.4 HG21 HG21 ' B' ' 50' ' ' ILE . 47.8 mt -53.27 -49.57 51.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.504 . . . . 1.37 111.443 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -60.0 -45.32 93.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.712 0.292 . . . . 1.67 111.193 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 1.654 ' HD2' ' CD1' ' B' ' 28' ' ' PHE . 86.1 t80 -66.76 -37.76 85.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.146 0.498 . . . . 2.76 110.665 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.477 ' HA ' HE21 ' B' ' 32' ' ' GLN . 7.2 mp -70.76 -28.29 64.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.022 -0.536 . . . . 1.28 110.86 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -61.52 -46.0 91.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 1.63 110.147 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.24 -50.58 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 1.98 110.162 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.477 HE21 ' HA ' ' B' ' 29' ' ' LEU . 19.1 mt-30 -52.72 -41.02 63.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 1.93 111.478 176.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -51.67 68.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.75 -0.659 . . . . 1.76 110.94 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -91.65 -14.17 30.56 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.347 0.499 . . . . 4.03 112.347 -171.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -93.53 -7.42 44.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.322 . . . . 3.47 111.104 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.81 42.51 11.11 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.799 -0.715 . . . . 0.58 112.696 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.81 -74.29 0.67 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.862 -0.685 . . . . 0.53 111.674 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.417 ' N ' HD23 ' B' ' 38' ' ' LEU . 3.2 mm? -68.58 170.36 9.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.336 -0.246 . . . . 1.21 110.336 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -70.98 165.5 23.28 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.377 -0.231 . . . . 1.7 110.377 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.1 t -57.68 -53.99 51.93 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.641 0.238 . . . . 1.96 111.641 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.71 -36.26 73.98 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.296 0.57 . . . . 2.21 110.553 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.06 -48.03 69.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.272 -0.876 . . . . 1.13 110.442 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -49.25 -58.14 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.407 0.683 . . . . 1.74 111.777 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.443 ' O ' HG21 ' B' ' 48' ' ' VAL . 41.3 mt-10 -43.42 -53.52 5.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.279 -0.873 . . . . 2.36 111.897 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 13.0 t -73.84 -28.18 61.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.131 0.491 . . . . 1.64 110.603 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.75 -44.33 90.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.806 -0.633 . . . . 1.81 110.922 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.84 -36.17 81.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 1.75 110.123 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.443 HG21 ' O ' ' B' ' 44' ' ' GLU . 99.4 t -60.51 -44.37 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.735 -0.468 . . . . 1.23 109.735 174.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -58.57 -39.76 81.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.654 -0.703 . . . . 1.13 111.235 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.4 HG21 HG21 ' B' ' 26' ' ' ILE . 68.2 mt -54.96 -57.22 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 1.36 111.285 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -63.54 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 1.84 111.705 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.09 -44.9 71.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.754 -0.203 . . . . 1.01 110.654 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 95.8 mt -62.16 -39.73 93.63 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.074 0.464 . . . . 1.37 109.941 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 0.1 OUTLIER -52.4 -56.07 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.091 -0.959 . . . . 1.66 110.774 177.066 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 22.1 m -72.18 -35.15 68.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.298 -0.41 . . . . 1.75 111.3 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -60.65 -52.45 65.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.981 0.42 . . . . 1.47 111.646 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' B' ' 22' ' ' ALA . 79.5 m-85 -82.58 -10.04 59.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 2.32 111.424 -178.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.04 28.18 67.09 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.927 -0.654 . . . . 2.73 111.9 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.573 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 30.7 m -100.59 156.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.722 0.296 . . . . 1.67 110.652 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 24.2 p -138.14 -174.48 3.81 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.977 -0.556 . . . . 2.84 110.487 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.38 -22.65 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.969 0.414 . . . . 2.73 110.414 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.418 ' HA ' ' OD2' ' B' ' 65' ' ' ASP . 33.2 mm-40 -64.24 -39.82 94.74 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.877 0.846 . . . . 4.0 109.757 175.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.18 -11.16 60.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.113 -0.949 . . . . 3.62 110.091 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.547 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 30.9 t -87.88 -18.99 27.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.679 -0.692 . . . . 3.28 109.694 175.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' B' ' 67' ' ' ALA . 32.8 m-20 -72.1 -34.39 68.59 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.261 -0.427 . . . . 3.46 110.323 177.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.67 26.66 0.23 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.173 -0.467 . . . . 2.39 111.088 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' B' ' 65' ' ' ASP . . . -47.75 130.34 14.51 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.226 -0.897 . . . . 1.89 112.926 -176.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.401 HD13 HD12 ' B' ' 72' ' ' LEU . 96.4 mt -69.85 159.02 85.71 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.98 -1.009 . . . . 1.72 110.611 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -45.17 -49.72 9.75 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.258 2.639 . . . . 3.2 113.422 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -118.94 152.82 35.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.474 . . . . 3.24 109.897 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -73.6 144.23 46.06 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.505 0.669 . . . . 1.98 109.584 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.656 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 10.1 mp -72.14 -42.4 9.4 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.129 -0.941 . . . . 2.33 112.93 -172.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.32 -31.48 67.53 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.447 1.432 . . . . 1.23 112.259 171.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -74.59 -37.56 62.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.451 -0.341 . . . . 2.27 110.267 178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.77 -50.99 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.275 0.559 . . . . 2.04 110.069 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 1.651 ' HE1' ' CE2' ' B' ' 76' ' ' PHE . 0.9 OUTLIER -61.81 -36.26 80.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.372 -0.831 . . . . 3.08 111.975 -178.722 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -54.48 -35.6 63.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.177 -0.465 . . . . 2.51 109.954 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.33 -55.56 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.154 -0.475 . . . . 1.24 111.569 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.06 -57.02 4.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.782 0.66 . . . . 1.47 112.782 -172.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.58 -21.87 61.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.233 0.457 . . . . 1.7 112.233 -169.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.421 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 52.1 m -74.45 -28.77 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.699 0.259 . . . . 2.49 111.699 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -176.45 115.24 0.51 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.679 -1.248 . . . . 2.63 113.393 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.599 -0.715 . . . . 4.9 109.335 173.137 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.194 -0.669 . . . . 4.05 109.194 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -65.31 114.26 4.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.399 -0.364 . . . . 2.4 111.386 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.407 HD21 ' HB3' ' B' ' 76' ' ' PHE . 21.4 p-10 -70.24 -21.09 63.03 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.387 -0.597 . . . . 2.52 109.387 175.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -57.4 -57.75 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.842 -1.072 . . . . 2.39 111.275 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.47 -40.17 92.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.259 -0.428 . . . . 1.98 111.23 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.558 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 42.3 mtm180 -71.55 -23.88 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 3.0 110.878 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.57 -43.41 89.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.717 -0.674 . . . . 1.28 110.402 174.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -61.94 -61.52 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 1.42 112.231 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 1.637 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 4.4 p90 -62.2 -35.22 78.19 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.041 0.448 . . . . 3.42 110.771 -173.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.42 -47.26 86.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.594 -0.73 . . . . 1.62 110.969 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.6 mt -67.55 -38.86 81.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.636 -0.711 . . . . 1.54 110.157 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 22' ' ' ALA . 64.7 mt -55.03 -51.21 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 1.37 111.247 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -58.29 -52.88 63.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 1.68 111.489 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.42 -46.87 88.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.946 -0.57 . . . . 2.76 110.82 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.1 mp -70.67 -25.75 63.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.324 -0.398 . . . . 1.28 111.582 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -65.89 -53.52 38.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.96 0.41 . . . . 1.62 110.537 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.99 -47.54 79.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.07 -0.514 . . . . 1.98 110.287 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.458 HE21 ' HA ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -57.02 -34.37 68.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.571 -0.741 . . . . 1.92 111.175 178.349 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.606 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.1 -40.37 97.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 1.76 110.356 -177.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -78.08 -26.76 48.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.24 -0.436 . . . . 4.02 110.834 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -75.79 -32.02 59.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 3.46 110.982 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.65 41.87 4.63 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.707 -0.679 . . . . 0.58 111.869 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.91 -54.16 32.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.971 -0.633 . . . . 0.52 112.47 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.17 -178.78 5.74 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.193 -0.299 . . . . 1.21 110.193 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 t -73.26 171.5 12.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.911 -0.131 . . . . 1.7 110.746 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -58.83 -52.62 64.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.905 0.335 . . . . 1.97 111.905 -174.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.1 -31.77 71.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.229 0.538 . . . . 2.2 110.454 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -67.38 -40.96 85.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.828 -0.624 . . . . 1.13 110.673 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.529 ' O ' HD22 ' A' ' 33' ' ' LEU . 38.5 mt-30 -52.23 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.843 -0.617 . . . . 1.74 111.645 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 47' ' ' GLU . 11.0 pt-20 -53.98 -31.74 51.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.771 -0.65 . . . . 2.36 111.821 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.4 m -67.53 -36.83 81.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.451 0.167 . . . . 1.64 110.913 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 63.9 mt -62.99 -41.15 99.49 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.929 -0.397 . . . . 1.81 109.929 177.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' A' ' 44' ' ' GLU . 48.5 mt-10 -57.54 -52.96 63.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 1.76 110.613 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.02 -41.62 77.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.999 0.428 . . . . 1.23 110.243 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -62.69 -43.63 98.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.914 -0.585 . . . . 1.12 110.788 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 46' ' ' LEU . 52.2 mt -57.0 -50.94 74.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.026 -0.534 . . . . 1.35 111.162 179.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.96 -42.17 84.45 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.941 0.4 . . . . 1.84 110.691 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 77.1 m -66.04 -47.47 74.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.541 . . . . 1.01 111.151 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 92.3 mt -60.94 -44.17 97.64 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.814 0.34 . . . . 1.37 110.514 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 37.7 tt0 -57.49 -49.66 75.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 1.65 110.712 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.4 m -69.26 -29.69 67.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.809 -0.632 . . . . 1.75 111.014 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.39 -62.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 1.47 112.028 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.436 ' CD2' ' HB3' ' A' ' 22' ' ' ALA . 86.9 m-85 -69.94 -18.11 63.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.542 -0.299 . . . . 2.33 111.746 -175.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.16 27.19 50.23 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.735 -0.745 . . . . 2.72 111.759 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.557 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 35.4 m -100.14 151.52 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.595 0.236 . . . . 1.67 110.438 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.0 p -137.91 -171.41 3.0 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.871 -0.418 . . . . 2.84 109.871 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.2 -25.78 38.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.468 . . . . 2.74 110.001 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 65' ' ' ASP . 16.2 mt-10 -68.2 -41.32 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.741 0.782 . . . . 4.01 109.781 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.455 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -74.16 -18.25 60.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.33 -0.85 . . . . 3.62 109.279 177.628 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.521 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 30.8 t -84.77 -12.65 53.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.321 -0.854 . . . . 3.27 109.845 174.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 29.6 t70 -78.95 -29.29 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.888 -0.596 . . . . 3.46 110.076 178.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.6 pp -81.52 28.78 0.39 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.199 0.524 . . . . 2.39 110.559 173.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.628 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -53.61 138.02 35.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.295 -0.866 . . . . 1.89 112.718 -176.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.53 155.29 91.47 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.109 -0.95 . . . . 1.72 110.585 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -43.54 -49.14 7.99 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.865 3.043 . . . . 3.19 113.466 -176.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -118.96 161.47 20.14 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.068 -0.345 . . . . 3.24 110.068 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 p -69.03 142.8 54.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.488 0.661 . . . . 1.99 110.723 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.459 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 3.8 mm? -79.71 -39.16 1.29 Allowed Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.307 -0.86 . . . . 2.33 112.895 -173.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 89.3 Cg_exo -54.42 -29.57 59.54 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.363 1.376 . . . . 1.23 112.159 170.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -68.92 -46.42 68.32 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.203 -0.665 . . . . 2.28 109.203 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.75 -39.5 56.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.868 -0.606 . . . . 2.04 110.252 172.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 1.2 t80 -66.52 -20.09 65.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.491 -0.777 . . . . 3.08 111.238 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 43.5 mt-10 -77.9 -36.17 49.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.043 0.449 . . . . 2.52 110.245 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.06 -58.98 2.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.694 -0.684 . . . . 1.24 112.178 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.79 -37.62 86.79 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.266 0.469 . . . . 1.47 112.266 -172.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.64 -21.27 63.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.319 -0.4 . . . . 1.7 111.546 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.5 p -99.29 6.04 46.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.113 0.482 . . . . 2.49 110.747 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.79 79.81 1.5 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.85 -0.69 . . . . 2.64 112.008 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.405 -0.807 . . . . 4.9 109.984 178.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.379 -0.6 . . . . 4.05 109.379 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.17 114.36 4.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.888 0.375 . . . . 2.42 111.41 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.4 HD21 ' HB3' ' A' ' 76' ' ' PHE . 21.2 p-10 -70.32 -21.14 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.359 -0.608 . . . . 2.52 109.359 175.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -57.33 -57.86 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.824 -1.08 . . . . 2.39 111.368 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.25 -40.27 93.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 1.97 111.259 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.561 ' HA ' ' CE2' ' B' ' 23' ' ' TYR . 42.6 mtm180 -71.49 -23.86 61.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 3.01 110.964 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 11.8 tp -65.55 -43.54 89.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.709 -0.678 . . . . 1.27 110.376 174.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.47 ' O ' HG13 ' B' ' 26' ' ' ILE . . . -61.81 -61.5 2.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 1.42 112.217 -175.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 1.662 ' HD2' ' CD1' ' B' ' 23' ' ' TYR . 4.3 p90 -62.33 -35.12 78.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.042 0.449 . . . . 3.41 110.769 -173.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.47 -47.38 85.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.579 -0.737 . . . . 1.62 111.031 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 51.4 mt -67.37 -38.91 81.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.639 -0.709 . . . . 1.54 110.099 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.47 HG13 ' O ' ' B' ' 22' ' ' ALA . 64.4 mt -55.1 -51.07 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 1.37 111.287 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -58.3 -52.68 64.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.779 0.323 . . . . 1.67 111.623 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.76 -46.68 89.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.892 -0.595 . . . . 2.76 110.81 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.596 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.1 mp -70.77 -25.64 62.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.245 -0.434 . . . . 1.28 111.564 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -66.01 -53.44 38.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.984 0.421 . . . . 1.63 110.474 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.95 -47.68 79.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.555 . . . . 1.98 110.371 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' B' ' 29' ' ' LEU . 0.6 OUTLIER -56.96 -34.26 67.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.505 -0.77 . . . . 1.93 111.167 178.332 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.596 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -63.21 -40.32 97.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.37 -0.377 . . . . 1.76 110.428 -177.567 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -77.96 -26.95 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.26 -0.427 . . . . 4.03 110.865 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -75.77 -31.84 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.07 0.462 . . . . 3.47 110.971 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.41 42.13 4.64 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.952 -0.642 . . . . 0.58 111.769 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.91 -54.34 31.44 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.973 -0.632 . . . . 0.53 112.38 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.15 -178.66 5.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.152 -0.314 . . . . 1.21 110.152 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.0 t -73.31 171.49 12.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.828 -0.169 . . . . 1.7 110.646 -178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.1 m -58.86 -52.6 65.04 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 111.873 0.323 . . . . 1.96 111.873 -174.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -68.0 -31.77 71.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.327 0.584 . . . . 2.21 110.504 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -67.5 -40.76 85.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 1.13 110.71 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.537 ' O ' HD22 ' B' ' 33' ' ' LEU . 38.3 mt-30 -52.32 -65.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.817 -0.629 . . . . 1.74 111.588 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' B' ' 47' ' ' GLU . 10.9 pt-20 -53.88 -31.95 51.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.768 -0.651 . . . . 2.36 111.779 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -67.21 -37.06 83.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.539 0.209 . . . . 1.64 110.862 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 63.6 mt -63.09 -41.01 99.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.854 -0.424 . . . . 1.81 109.854 177.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' B' ' 44' ' ' GLU . 47.5 mt-10 -57.37 -53.26 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 1.75 110.632 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.402 HG21 ' O ' ' B' ' 44' ' ' GLU . 37.2 t -56.96 -41.55 77.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 1.23 110.207 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -62.81 -43.5 98.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.963 -0.562 . . . . 1.13 110.818 176.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.404 HG13 ' O ' ' B' ' 46' ' ' LEU . 52.4 mt -57.02 -50.83 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.999 -0.546 . . . . 1.36 111.234 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.09 -42.07 84.81 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.862 0.363 . . . . 1.84 110.716 178.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 76.7 m -66.06 -47.5 74.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 1.01 111.12 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 92.4 mt -60.91 -44.1 97.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 1.37 110.556 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 37.9 tt0 -57.61 -49.57 75.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.744 -0.662 . . . . 1.66 110.738 177.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.4 m -69.47 -29.57 67.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.758 -0.656 . . . . 1.75 110.989 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.25 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 1.47 111.913 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' B' ' 22' ' ' ALA . 86.8 m-85 -69.79 -18.44 63.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 2.32 111.68 -175.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.57 27.08 48.79 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.758 -0.735 . . . . 2.73 111.624 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.556 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 35.5 m -100.09 151.58 5.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.591 0.234 . . . . 1.67 110.39 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 57.1 p -138.16 -171.58 3.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.835 -0.431 . . . . 2.84 109.835 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 8.2 p -62.04 -25.91 38.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.18 0.514 . . . . 2.73 110.0 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' B' ' 65' ' ' ASP . 16.2 mt-10 -68.15 -41.08 82.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.763 0.792 . . . . 4.0 109.829 176.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.45 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 0.9 OUTLIER -74.48 -18.32 60.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.376 -0.829 . . . . 3.62 109.261 177.608 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.521 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 32.7 t -84.57 -12.83 53.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.226 -0.897 . . . . 3.28 109.933 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' B' ' 67' ' ' ALA . 30.0 t70 -78.9 -29.11 44.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.952 -0.567 . . . . 3.46 110.136 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.6 pp -81.09 27.25 0.41 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.226 0.536 . . . . 2.39 110.754 173.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.615 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -52.45 138.04 28.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.248 -0.887 . . . . 1.89 112.744 -176.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.59 155.27 91.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.09 -0.959 . . . . 1.72 110.607 177.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -43.49 -49.13 7.93 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.903 3.069 . . . . 3.2 113.573 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -118.91 161.94 19.34 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.062 -0.348 . . . . 3.24 110.062 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 13.9 p -69.77 145.01 52.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.539 0.685 . . . . 1.98 110.352 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 3.8 mm? -81.52 -38.92 0.95 Allowed Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.41 -0.814 . . . . 2.33 112.696 -172.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.485 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 87.7 Cg_exo -54.44 -29.67 60.19 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.289 1.326 . . . . 1.23 112.203 169.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -68.81 -46.65 68.07 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.159 -0.682 . . . . 2.27 109.159 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.66 -39.34 54.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 2.04 110.325 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 1.2 t80 -66.58 -20.16 65.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.538 -0.756 . . . . 3.08 111.295 -177.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 42.8 mt-10 -77.71 -36.83 50.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.042 0.448 . . . . 2.51 110.189 176.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.37 -59.09 2.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.702 -0.681 . . . . 1.24 112.266 -176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.89 87.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.193 0.442 . . . . 1.47 112.193 -172.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.3 -21.4 63.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.304 -0.407 . . . . 1.7 111.643 -176.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 23.3 p -99.38 6.16 46.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.179 0.514 . . . . 2.49 110.765 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.84 80.11 1.49 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.787 -0.721 . . . . 2.63 112.007 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.473 -0.775 . . . . 4.9 109.929 179.006 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.116 0.484 . . . . 4.05 110.487 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -78.25 101.45 7.13 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.719 -0.673 . . . . 2.4 110.575 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.497 ' OD1' ' HB1' ' B' ' 80' ' ' ALA . 7.6 t30 -68.26 -32.56 72.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.738 -0.665 . . . . 2.52 109.694 177.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -54.9 -54.27 44.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.727 -0.67 . . . . 2.39 111.638 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -69.91 -36.76 75.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.524 -0.307 . . . . 1.98 111.735 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.32 -30.94 63.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.158 0.504 . . . . 3.0 110.506 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' B' ' 76' ' ' PHE . 33.9 tp -61.93 -45.46 93.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.417 -0.81 . . . . 1.28 110.374 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.574 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -59.39 -63.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.325 -0.852 . . . . 1.42 112.617 -175.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 1.653 ' HD1' ' CD2' ' A' ' 23' ' ' TYR . 4.0 p90 -61.13 -35.28 76.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.997 0.427 . . . . 3.42 110.692 -172.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.62 94.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 1.62 110.818 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.8 mt -68.68 -39.49 80.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 1.54 110.09 175.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.7 mt -56.79 -53.2 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 1.37 111.473 177.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -62.86 -36.23 82.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 1.68 111.211 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.635 ' HE2' ' CE1' ' A' ' 28' ' ' PHE . 64.4 t80 -67.32 -44.46 79.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.179 -0.464 . . . . 2.76 109.9 176.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 7.9 mp -67.03 -28.42 68.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 1.28 111.068 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -67.88 -46.12 72.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.973 0.416 . . . . 1.62 110.037 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -66.63 -40.94 88.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.51 0.671 . . . . 1.98 109.852 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.412 HE21 ' HA ' ' A' ' 29' ' ' LEU . 8.6 tt0 -60.0 -37.06 78.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.853 -1.067 . . . . 1.92 110.468 177.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.494 HD21 ' HB2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -67.96 -46.89 70.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.812 . . . . 1.76 109.601 178.271 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -64.65 -35.15 80.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.518 -0.765 . . . . 4.02 110.927 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -81.36 -18.61 45.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.32 -0.4 . . . . 3.46 111.203 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.44 41.71 24.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.076 -0.583 . . . . 0.58 111.802 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.19 -37.8 95.04 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.317 -0.468 . . . . 0.52 113.558 -174.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 4.4 mm? -100.83 176.6 5.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.817 0.341 . . . . 1.21 111.686 -177.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -72.34 -171.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.656 -0.702 . . . . 1.7 111.14 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 40.5 t -62.94 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.848 0.314 . . . . 1.97 111.848 -174.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -66.38 -30.2 70.53 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.384 0.611 . . . . 2.2 110.071 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.434 ' CB ' ' HB3' ' A' ' 38' ' ' LEU . . . -62.64 -43.33 99.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.012 -0.994 . . . . 1.13 110.934 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.472 ' O ' HD22 ' A' ' 33' ' ' LEU . 8.7 tt0 -62.8 -44.25 96.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 1.74 110.381 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 40' ' ' SER . 6.2 mm-40 -61.99 -37.15 83.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.978 -0.555 . . . . 2.36 110.152 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.3 m -68.81 -26.51 65.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.545 -0.752 . . . . 1.64 111.591 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.494 ' HB2' HD21 ' A' ' 33' ' ' LEU . 28.9 mt -64.1 -51.1 65.63 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 120.643 -0.423 . . . . 1.81 110.152 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -58.15 -45.51 87.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.203 -0.453 . . . . 1.76 110.919 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.407 ' HB ' ' SG ' ' B' ' 52' ' ' CYS . 68.0 t -60.4 -45.23 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 1.23 110.531 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.69 84.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 1.12 111.128 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 46' ' ' LEU . 63.6 mt -56.26 -55.73 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 1.35 110.589 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -65.57 -34.74 78.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.013 -0.54 . . . . 1.84 110.632 -177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.431 ' SG ' ' HB ' ' B' ' 48' ' ' VAL . 9.4 t -70.63 -48.2 56.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.888 -0.597 . . . . 1.01 110.925 -177.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.4 mt -70.87 -32.22 69.15 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.554 0.216 . . . . 1.37 111.094 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.96 -47.24 81.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.328 -0.619 . . . . 1.65 109.328 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -69.99 -35.24 74.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.373 -0.831 . . . . 1.75 110.816 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' B' ' 42' ' ' ALA . . . -62.77 -52.65 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.038 -0.528 . . . . 1.47 112.085 -177.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 1.602 ' HE2' ' CE1' ' A' ' 57' ' ' PHE . 86.2 m-85 -82.67 -5.97 59.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.998 0.427 . . . . 2.33 111.122 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.57 26.13 74.6 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.882 -0.599 . . . . 2.72 112.011 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.3 m -95.19 162.16 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.996 0.427 . . . . 1.67 110.773 -177.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.1 p -139.42 -171.89 3.23 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.67 -0.695 . . . . 2.84 109.969 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -69.3 -20.78 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.058 0.456 . . . . 2.74 110.032 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.97 -37.3 87.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.461 0.648 . . . . 4.01 109.892 175.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.82 -16.65 62.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.448 -0.796 . . . . 3.62 109.785 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.559 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 30.6 t -89.3 -13.62 37.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.771 -0.649 . . . . 3.27 110.04 175.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 67' ' ' ALA . 21.1 t70 -75.01 -34.85 61.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.091 0.472 . . . . 3.46 109.887 177.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -80.13 28.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 2.39 110.524 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.459 ' H ' ' C ' ' A' ' 65' ' ' ASP . . . -50.05 134.54 21.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.26 -0.882 . . . . 1.89 112.749 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.428 ' HG ' ' HH ' ' A' ' 23' ' ' TYR . 87.9 mt -71.43 160.47 82.47 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 114.793 -1.094 . . . . 1.72 110.014 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -42.54 -41.78 8.05 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.168 2.579 . . . . 3.19 113.462 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -134.51 160.99 36.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.504 -0.316 . . . . 3.24 110.204 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -68.33 141.51 55.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.36 0.6 . . . . 1.99 110.413 176.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.623 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 66.2 mt -72.95 -42.44 7.41 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.218 -0.901 . . . . 2.33 113.391 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.507 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 71.7 Cg_exo -53.1 -31.76 55.94 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.46 1.44 . . . . 1.23 112.07 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -62.8 -50.23 71.82 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.024 -0.535 . . . . 2.28 109.646 175.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.3 mt -53.27 -44.98 55.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 115.327 -0.851 . . . . 2.04 110.327 173.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.625 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 0.0 OUTLIER -67.26 -35.4 79.45 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.571 -0.741 . . . . 3.08 111.31 -174.373 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 34.0 mt-10 -63.61 -25.69 68.34 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.515 -0.474 . . . . 2.52 110.451 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.452 ' O ' ' HA3' ' A' ' 82' ' ' GLY . . . -87.65 -27.11 22.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.38 -0.373 . . . . 1.24 111.417 176.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.19 -61.15 1.63 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.925 0.393 . . . . 1.47 111.798 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.526 ' HB1' ' OD1' ' B' ' 17' ' ' ASN . . . -59.42 -63.36 1.33 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.549 -0.75 . . . . 1.7 112.081 -171.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 t -89.25 -1.1 57.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.007 0.432 . . . . 2.49 110.541 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 78' ' ' ALA . . . -76.91 -31.37 53.65 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.75 -0.738 . . . . 2.64 111.676 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.417 -0.801 . . . . 4.9 109.862 178.161 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 71.3 mtm . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.108 0.48 . . . . 4.05 110.558 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -78.08 101.66 7.08 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.734 -0.666 . . . . 2.42 110.494 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.526 ' OD1' ' HB1' ' A' ' 80' ' ' ALA . 7.5 t30 -68.42 -32.55 72.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.702 -0.681 . . . . 2.52 109.66 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -55.14 -54.18 46.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.772 -0.649 . . . . 2.39 111.521 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -69.98 -36.69 75.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.62 -0.264 . . . . 1.97 111.639 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -73.35 -30.94 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.142 0.496 . . . . 3.01 110.481 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 76' ' ' PHE . 34.2 tp -61.82 -45.58 93.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.47 -0.786 . . . . 1.27 110.435 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.581 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -59.32 -63.57 1.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.267 -0.879 . . . . 1.42 112.554 -175.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 1.655 ' HE1' ' CE2' ' B' ' 23' ' ' TYR . 4.1 p90 -61.05 -35.36 76.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.015 0.436 . . . . 3.41 110.685 -172.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.61 94.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.718 -0.673 . . . . 1.62 110.784 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.4 ' O ' HD11 ' B' ' 29' ' ' LEU . 29.2 mt -68.61 -39.56 80.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.128 -0.487 . . . . 1.54 110.094 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 67.3 mt -56.9 -53.13 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.366 -0.379 . . . . 1.37 111.478 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -62.83 -36.27 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 1.67 111.219 -178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 1.649 ' HD2' ' CD1' ' B' ' 28' ' ' PHE . 64.5 t80 -67.31 -44.46 79.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.18 -0.463 . . . . 2.76 109.911 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 8.0 mp -67.06 -28.21 68.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 1.28 111.141 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -68.12 -45.94 72.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.014 0.435 . . . . 1.63 110.025 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -66.68 -40.99 88.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.518 0.675 . . . . 1.98 109.794 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.413 HE21 ' HA ' ' B' ' 29' ' ' LEU . 8.6 tt0 -60.07 -36.9 78.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.899 -1.046 . . . . 1.93 110.465 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -68.02 -46.84 70.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.468 -0.787 . . . . 1.76 109.612 178.327 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -64.68 -35.36 80.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.493 -0.776 . . . . 4.03 110.798 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -81.24 -18.83 44.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.922 0.392 . . . . 3.47 111.127 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.61 41.8 23.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.055 -0.593 . . . . 0.58 111.929 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.28 -37.74 94.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.364 -0.446 . . . . 0.53 113.48 -174.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.438 ' HB3' ' CB ' ' B' ' 42' ' ' ALA . 4.4 mm? -101.16 176.46 5.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.951 0.405 . . . . 1.21 111.722 -177.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -72.16 -171.74 0.79 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.728 -0.669 . . . . 1.7 111.095 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' B' ' 44' ' ' GLU . 45.3 t -63.57 -65.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.955 0.354 . . . . 1.96 111.955 -174.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -67.34 -30.25 70.03 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.491 0.662 . . . . 2.21 109.984 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 56' ' ' ALA . . . -62.26 -43.52 98.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.908 -1.042 . . . . 1.13 110.931 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.457 ' O ' HD22 ' B' ' 33' ' ' LEU . 8.7 tt0 -62.69 -44.57 95.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 1.74 110.32 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' B' ' 40' ' ' SER . 6.2 mm-40 -61.86 -37.07 83.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.986 -0.552 . . . . 2.36 110.129 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.2 m -68.66 -26.83 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.519 -0.764 . . . . 1.64 111.557 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.488 ' HB2' HD21 ' B' ' 33' ' ' LEU . 28.9 mt -64.0 -51.01 66.26 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.652 -0.419 . . . . 1.81 110.163 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -58.26 -45.43 87.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.293 -0.412 . . . . 1.75 110.91 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.431 ' HB ' ' SG ' ' A' ' 52' ' ' CYS . 67.1 t -60.4 -45.29 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 1.23 110.576 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.75 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.004 -0.544 . . . . 1.13 111.127 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.443 HG13 ' O ' ' B' ' 46' ' ' LEU . 62.8 mt -56.26 -55.75 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 1.36 110.483 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -65.56 -34.67 78.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.127 0.489 . . . . 1.84 110.622 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.407 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 9.4 t -70.7 -48.21 55.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 1.01 110.885 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -70.9 -32.2 69.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.51 0.195 . . . . 1.37 111.104 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.11 -47.01 82.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.231 -0.655 . . . . 1.66 109.231 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 29.3 m -70.11 -35.34 74.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.35 -0.841 . . . . 1.75 110.809 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.8 61.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.47 111.985 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 1.661 ' HE2' ' CE1' ' B' ' 57' ' ' PHE . 86.5 m-85 -82.58 -6.0 59.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.839 0.352 . . . . 2.32 111.191 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.8 25.81 75.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.171 -0.538 . . . . 2.73 112.024 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -95.11 162.14 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.984 0.421 . . . . 1.67 110.865 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 22.5 p -139.49 -171.93 3.25 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.698 -0.683 . . . . 2.84 109.937 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.44 -20.82 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.052 0.453 . . . . 2.73 109.926 175.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.8 -37.28 87.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.454 0.645 . . . . 4.0 109.945 174.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.02 -16.95 62.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 3.62 109.801 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.564 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 29.6 t -88.6 -13.98 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.79 -0.641 . . . . 3.28 110.135 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' B' ' 67' ' ' ALA . 21.3 t70 -74.98 -34.45 62.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.126 0.489 . . . . 3.46 110.012 177.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.99 27.11 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.63 -0.714 . . . . 2.39 110.68 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' B' ' 65' ' ' ASP . . . -49.21 134.48 17.99 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.162 -0.926 . . . . 1.89 112.72 -175.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.447 ' HG ' ' HH ' ' B' ' 23' ' ' TYR . 88.8 mt -71.45 160.49 82.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 114.785 -1.098 . . . . 1.72 109.928 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -42.68 -41.61 8.34 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.173 2.582 . . . . 3.2 113.556 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -134.44 161.56 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.106 -0.331 . . . . 3.24 110.106 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.3 p -69.24 144.33 53.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.345 0.593 . . . . 1.98 110.064 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.625 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 64.7 mt -75.11 -42.23 4.25 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.238 -0.892 . . . . 2.33 113.164 -171.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.494 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 72.0 Cg_exo -53.21 -31.76 57.06 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 121.455 1.437 . . . . 1.23 112.106 173.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -62.77 -50.19 72.01 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.253 0.549 . . . . 2.27 109.689 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 56.3 mt -53.25 -44.85 54.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 115.323 -0.853 . . . . 2.04 110.519 172.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.623 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.39 -35.44 79.31 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.532 -0.758 . . . . 3.08 111.292 -174.448 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 33.7 mt-10 -63.7 -25.79 68.36 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.471 -0.492 . . . . 2.51 110.509 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.463 ' O ' ' HA3' ' B' ' 82' ' ' GLY . . . -87.19 -28.12 22.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.343 -0.39 . . . . 1.24 111.418 176.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.89 -61.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.062 0.458 . . . . 1.47 112.131 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.497 ' HB1' ' OD1' ' A' ' 17' ' ' ASN . . . -59.81 -63.03 1.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.465 -0.789 . . . . 1.7 112.133 -170.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 7.2 t -89.54 -0.99 57.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 2.49 110.431 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' B' ' 78' ' ' ALA . . . -76.73 -31.44 53.78 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.766 -0.73 . . . . 2.63 111.68 178.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.276 -0.868 . . . . 4.9 109.887 178.355 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 121.142 0.496 . . . . 4.05 110.23 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -119.08 126.02 50.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 2.4 110.851 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -66.31 -21.68 66.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.85 -0.614 . . . . 2.52 110.177 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -58.2 -48.06 81.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.793 -0.64 . . . . 2.39 110.841 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -69.16 -41.35 77.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.299 0.571 . . . . 1.98 110.043 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.733 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 98.5 mtt180 -67.61 -31.32 71.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.317 -0.856 . . . . 3.0 110.83 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -67.92 -40.43 83.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.815 -0.63 . . . . 1.28 110.266 172.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.12 -34.62 72.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.019 -0.537 . . . . 1.42 111.114 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.733 ' CD2' ' HA ' ' A' ' 20' ' ' ARG . 6.4 m-85 -61.26 -46.57 89.82 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.396 -0.594 . . . . 3.42 109.396 176.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.02 -36.32 60.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.754 -0.657 . . . . 1.62 111.21 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.654 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 44.0 mt -84.04 -51.77 13.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.007 -0.997 . . . . 1.54 110.025 -174.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.414 HG21 HG21 ' A' ' 50' ' ' ILE . 74.6 mt -63.13 -54.14 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.101 -0.5 . . . . 1.37 111.066 179.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.561 ' HB2' ' O ' ' A' ' 23' ' ' TYR . 22.4 mm-40 -62.14 -56.87 14.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.039 0.755 . . . . 1.68 113.039 -173.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -76.45 -46.82 25.25 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.879 -0.328 . . . . 2.76 111.856 -170.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.654 ' HB2' ' O ' ' A' ' 25' ' ' ILE . 10.5 mp -57.87 -32.52 67.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.982 -0.287 . . . . 1.28 110.907 176.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -58.31 -58.1 9.98 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.105 0.478 . . . . 1.62 110.897 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.45 -26.32 64.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.881 -0.6 . . . . 1.98 110.704 -178.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -59.23 -40.2 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.879 -0.6 . . . . 1.92 110.137 173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 60.8 mt -65.74 -40.1 91.78 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.851 -0.613 . . . . 1.76 109.992 176.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -67.04 -26.04 66.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.769 -0.65 . . . . 4.02 110.326 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -86.26 -11.54 52.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.09 0.471 . . . . 3.46 110.924 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.57 39.16 50.32 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.868 -0.606 . . . . 0.58 112.336 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.97 -52.44 44.96 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.067 -0.587 . . . . 0.52 112.978 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.31 176.56 6.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.624 0.25 . . . . 1.21 110.451 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -72.25 158.55 35.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.174 -0.676 . . . . 1.7 109.174 173.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -52.09 -49.55 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.694 0.257 . . . . 1.97 111.694 -173.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.69 -42.45 83.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.107 0.479 . . . . 2.2 110.975 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.3 -32.93 64.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.868 -0.605 . . . . 1.13 110.963 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' HA ' HD21 ' A' ' 33' ' ' LEU . 39.4 mt-30 -61.21 -66.28 0.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 1.74 111.451 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -51.08 -31.99 20.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.722 -0.672 . . . . 2.36 111.222 176.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -64.15 -40.24 95.72 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.368 -0.378 . . . . 1.64 110.932 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.524 ' HB2' HD23 ' A' ' 33' ' ' LEU . 23.0 mt -62.93 -41.51 99.5 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.661 0.267 . . . . 1.81 110.385 176.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.69 -40.88 93.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.079 -0.51 . . . . 1.76 110.847 -177.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.4 t -63.13 -43.64 99.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.194 0.521 . . . . 1.23 110.255 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.47 98.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.592 -0.731 . . . . 1.12 110.981 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 46' ' ' LEU . 70.7 mt -57.24 -46.6 84.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.645 . . . . 1.35 111.425 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -60.84 -39.57 89.56 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.278 0.561 . . . . 1.84 110.657 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 67.6 m -70.5 -40.64 73.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.663 -0.699 . . . . 1.01 110.741 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.44 -40.45 95.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.455 -0.339 . . . . 1.37 110.557 178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.586 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 35.6 tt0 -58.24 -50.1 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 1.65 110.382 176.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -65.72 -30.66 71.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.635 -0.711 . . . . 1.75 111.065 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.71 -60.18 2.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.54 . . . . 1.47 111.876 -177.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -69.25 -17.84 63.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 2.33 111.232 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.73 15.31 81.44 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.944 -0.646 . . . . 2.72 111.912 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.586 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 30.0 m -97.97 142.42 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.026 0.441 . . . . 1.67 110.76 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.0 p -122.09 -170.55 2.08 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.697 -0.683 . . . . 2.84 110.421 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.89 -29.82 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.793 0.33 . . . . 2.74 110.579 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.51 -45.02 73.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.344 0.593 . . . . 4.01 110.496 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.671 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.8 m-20 -65.27 -42.43 93.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.788 -0.642 . . . . 3.62 109.341 176.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.6 m -69.3 -11.27 60.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.617 -0.719 . . . . 3.27 110.804 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.26 -36.33 40.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.266 -0.425 . . . . 3.46 110.656 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.8 pp -69.04 -47.11 66.2 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.964 -0.754 . . . . 2.39 108.964 175.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . . . 45.71 -164.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.947 1.091 . . . . 1.89 113.947 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.493 HD11 ' O ' ' B' ' 80' ' ' ALA . 94.0 mt -123.15 127.5 25.63 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 114.272 -1.331 . . . . 1.72 109.125 172.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -52.47 -42.22 62.67 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 124.279 3.319 . . . . 3.19 113.809 -173.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.555 ' CG ' HD12 ' A' ' 75' ' ' ILE . 5.1 pm0 -87.16 139.59 30.41 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.956 -0.757 . . . . 3.24 108.956 176.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.2 p -67.69 135.86 53.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.495 0.664 . . . . 1.99 110.823 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 68' ' ' LEU . 2.5 mm? -80.19 -48.02 1.32 Allowed Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.204 -0.907 . . . . 2.33 112.87 -170.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.02 -32.1 46.97 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.424 1.416 . . . . 1.23 111.925 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.98 -44.59 65.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.928 -0.578 . . . . 2.28 110.557 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.555 HD12 ' CG ' ' A' ' 70' ' ' GLN . 44.6 mt -61.18 -42.2 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-O 121.184 0.516 . . . . 2.04 109.7 173.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.479 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 14.5 m-30 -67.95 -17.28 64.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.542 -0.754 . . . . 3.08 110.154 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -74.76 -41.38 60.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 2.52 109.647 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.36 -61.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.829 -0.623 . . . . 1.24 112.095 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.72 -42.04 35.71 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.823 0.675 . . . . 1.47 112.823 -169.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.494 ' O ' HD11 ' B' ' 68' ' ' LEU . . . -61.62 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.753 0.279 . . . . 1.7 111.753 -173.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.1 t -89.04 15.74 8.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.211 0.529 . . . . 2.49 110.627 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.87 -163.06 9.62 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.711 -0.677 . . . . 2.64 111.489 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.576 -0.726 . . . . 4.9 109.958 -179.744 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.939 0.399 . . . . 4.05 110.306 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -118.97 126.04 50.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 2.42 110.944 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -66.34 -21.58 66.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.832 -0.622 . . . . 2.52 110.167 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -58.36 -48.07 81.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.789 -0.641 . . . . 2.39 110.792 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -69.14 -41.34 77.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.332 0.587 . . . . 1.97 110.072 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.745 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . 98.7 mtt180 -67.64 -31.33 71.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.311 -0.859 . . . . 3.01 110.771 -175.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 14.9 tp -67.73 -40.62 84.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.625 . . . . 1.27 110.221 172.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.58 72.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.016 -0.538 . . . . 1.42 111.051 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.745 ' CD2' ' HA ' ' B' ' 20' ' ' ARG . 6.5 m-85 -61.23 -46.67 89.43 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 109.369 -0.604 . . . . 3.41 109.369 176.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.04 -36.21 60.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.673 -0.694 . . . . 1.62 111.264 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.674 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 43.9 mt -84.1 -51.76 13.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.979 -1.01 . . . . 1.54 110.017 -174.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.413 HG21 HG21 ' B' ' 50' ' ' ILE . 74.6 mt -63.14 -54.16 36.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.106 -0.497 . . . . 1.37 111.059 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' B' ' 23' ' ' TYR . 22.2 mm-40 -62.1 -56.78 15.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.05 0.759 . . . . 1.67 113.05 -173.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.57 -46.9 24.35 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.823 -0.351 . . . . 2.76 111.711 -170.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.674 ' HB2' ' O ' ' B' ' 25' ' ' ILE . 10.5 mp -57.7 -32.65 67.59 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.044 -0.262 . . . . 1.28 110.868 176.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -58.21 -58.17 9.65 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.145 0.497 . . . . 1.63 110.877 174.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -26.25 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.887 -0.597 . . . . 1.98 110.743 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -59.27 -40.25 85.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.848 -0.615 . . . . 1.93 110.129 173.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' B' ' 29' ' ' LEU . 61.3 mt -65.72 -40.21 91.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 1.76 110.047 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -66.87 -26.13 66.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.614 -0.721 . . . . 4.03 110.324 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -86.23 -11.58 52.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 3.47 110.944 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.63 39.39 49.18 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.944 -0.571 . . . . 0.58 112.206 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.28 -52.24 45.69 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 121.152 -0.547 . . . . 0.53 113.049 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.34 176.75 6.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.818 -0.225 . . . . 1.21 110.498 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.0 t -72.51 158.53 35.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.141 -0.689 . . . . 1.7 109.141 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -52.16 -49.52 63.6 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.681 0.252 . . . . 1.96 111.681 -173.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.55 -42.51 83.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.156 0.503 . . . . 2.21 111.086 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.25 -33.16 65.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.803 -0.635 . . . . 1.13 110.924 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.407 ' HA ' HD21 ' B' ' 33' ' ' LEU . 39.5 mt-30 -61.15 -66.33 0.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.97 -0.559 . . . . 1.74 111.396 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -51.09 -31.79 20.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.697 -0.683 . . . . 2.36 111.321 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -64.22 -40.49 96.15 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.412 -0.358 . . . . 1.64 110.795 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.519 ' HB2' HD23 ' B' ' 33' ' ' LEU . 22.9 mt -62.71 -41.54 99.2 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.613 0.245 . . . . 1.81 110.458 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.68 -40.73 93.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.057 -0.52 . . . . 1.75 110.762 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.33 -43.56 98.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.122 0.487 . . . . 1.23 110.166 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.43 98.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.541 -0.754 . . . . 1.13 110.933 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.442 HG13 ' O ' ' B' ' 46' ' ' LEU . 70.3 mt -57.43 -46.44 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.879 -0.601 . . . . 1.36 111.43 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -61.01 -39.39 89.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.18 0.514 . . . . 1.84 110.59 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 67.9 m -70.67 -40.6 72.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.735 -0.666 . . . . 1.01 110.758 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.38 -40.35 95.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.528 -0.305 . . . . 1.37 110.598 178.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.6 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 35.0 tt0 -58.39 -50.11 74.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 1.66 110.325 176.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -65.4 -30.89 71.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.654 -0.703 . . . . 1.75 111.075 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.78 -59.91 2.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.961 -0.563 . . . . 1.47 111.868 -176.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -69.67 -17.63 63.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 2.32 111.187 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.82 15.34 81.36 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.865 -0.683 . . . . 2.73 111.879 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.6 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 30.1 m -98.09 142.51 14.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.103 0.478 . . . . 1.67 110.747 -178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.2 p -122.39 -171.35 2.25 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.636 -0.711 . . . . 2.84 110.37 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.14 -29.91 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.742 0.306 . . . . 2.73 110.622 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -68.47 -45.11 73.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.329 0.585 . . . . 4.0 110.518 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.677 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 6.9 m-20 -65.14 -42.52 93.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.755 -0.657 . . . . 3.62 109.487 176.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.412 ' O ' ' HB1' ' B' ' 67' ' ' ALA . 29.5 m -68.75 -12.33 61.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.535 -0.757 . . . . 3.28 110.861 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.56 -36.22 44.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 3.46 110.571 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.8 pp -70.27 -44.44 68.43 Favored 'General case' 0 C--O 1.231 0.085 0 C-N-CA 119.827 -0.749 . . . . 2.39 109.201 175.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.473 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . . . 43.91 -164.06 0.01 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 114.057 1.132 . . . . 1.89 114.057 171.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.494 HD11 ' O ' ' A' ' 80' ' ' ALA . 94.0 mt -123.11 127.53 25.63 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 114.064 -1.425 . . . . 1.72 109.085 172.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -52.63 -42.0 65.13 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 124.187 3.258 . . . . 3.2 113.99 -173.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . 0.552 ' CG ' HD12 ' B' ' 75' ' ' ILE . 5.1 pm0 -87.31 140.15 29.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.886 -0.783 . . . . 3.24 108.886 176.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 20.5 p -69.3 141.11 54.4 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.918 -0.713 . . . . 1.98 109.882 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.427 HD22 ' HB2' ' B' ' 68' ' ' LEU . 2.5 mm? -83.22 -48.42 0.77 Allowed Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.106 -0.952 . . . . 2.33 112.753 -170.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.92 -32.3 46.93 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.457 1.438 . . . . 1.23 111.715 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -70.92 -44.51 66.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.875 -0.602 . . . . 2.27 110.619 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.552 HD12 ' CG ' ' B' ' 70' ' ' GLN . 44.8 mt -61.16 -42.22 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-O 121.272 0.558 . . . . 2.04 109.695 173.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.49 ' O ' ' HB2' ' B' ' 80' ' ' ALA . 14.6 m-30 -67.83 -17.67 64.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.577 -0.738 . . . . 3.08 110.108 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -74.35 -42.43 59.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.635 -0.711 . . . . 2.51 109.49 175.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.03 -61.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.875 -0.602 . . . . 1.24 112.349 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.89 -41.95 34.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.842 0.682 . . . . 1.47 112.842 -169.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.493 ' O ' HD11 ' A' ' 68' ' ' LEU . . . -61.69 -46.18 90.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.719 0.266 . . . . 1.7 111.719 -173.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 t -89.03 16.01 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.24 0.543 . . . . 2.49 110.581 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -137.04 -163.02 9.58 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.475 -0.65 . . . . 2.63 111.475 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.646 -0.692 . . . . 4.9 110.045 -179.674 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.425 ' SD ' ' HA ' ' B' ' 81' ' ' THR . 51.6 ttm . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.723 0.297 . . . . 4.05 110.412 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.42 85.54 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.053 -0.521 . . . . 2.4 110.031 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 2.8 p-10 -87.28 -15.36 38.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.07 0.396 . . . . 2.52 112.07 -175.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 12.3 mptt -77.88 -32.46 51.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.929 0.395 . . . . 2.39 110.644 -175.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.582 ' HE3' ' O ' ' A' ' 58' ' ' GLY . 20.2 ptmt -70.41 -45.81 65.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.551 -0.295 . . . . 1.98 110.716 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' O ' ' HD1' ' A' ' 23' ' ' TYR . 27.1 mtm180 -67.3 -23.17 65.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.589 0.709 . . . . 3.0 109.442 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.546 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 5.5 tp -62.11 -60.98 2.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.941 -1.027 . . . . 1.28 110.344 171.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.494 ' HB1' HG12 ' A' ' 59' ' ' VAL . . . -69.54 -35.09 75.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.033 0.383 . . . . 1.42 112.033 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 1.653 ' HD1' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.82 -44.61 74.03 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.228 0.537 . . . . 3.42 110.261 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 72' ' ' LEU . . . -72.36 -36.03 68.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.75 -0.659 . . . . 1.62 110.891 -176.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.55 -42.77 93.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.719 -0.673 . . . . 1.54 110.427 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.613 HD12 ' CD1' ' A' ' 53' ' ' LEU . 74.3 mt -59.22 -40.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.049 -0.523 . . . . 1.37 111.009 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -60.39 -43.58 96.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.373 -0.376 . . . . 1.68 111.029 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -72.49 -46.14 56.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 2.76 111.132 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.69 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.8 mp -60.37 -45.59 92.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.555 -0.293 . . . . 1.28 110.687 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -56.46 -38.28 71.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 1.62 110.34 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.68 -48.42 59.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.721 -0.672 . . . . 1.98 110.745 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 2.5 pt20 -65.45 -33.45 75.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.92 110.5 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 45.4 mt -62.57 -47.34 84.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.718 0.294 . . . . 1.76 110.401 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.3 mmt-85 -68.79 -27.32 65.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.377 -0.374 . . . . 4.02 110.89 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -87.33 3.68 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.398 -0.365 . . . . 3.46 111.426 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.484 ' HA2' ' NE2' ' A' ' 43' ' ' GLN . . . 68.27 34.74 81.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.172 -0.537 . . . . 0.58 113.114 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.49 -53.43 35.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.046 -0.597 . . . . 0.52 111.975 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.74 151.94 20.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.579 -0.526 . . . . 1.21 109.579 176.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 t -65.51 157.38 29.78 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 123.348 0.405 . . . . 1.7 110.03 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 p -43.62 -49.13 7.72 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.92 1.082 . . . . 1.97 113.92 -170.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.67 -52.91 62.38 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.951 0.405 . . . . 2.2 110.925 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.86 79.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.779 -0.646 . . . . 1.13 110.793 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.484 ' NE2' ' HA2' ' A' ' 36' ' ' GLY . 14.9 tt0 -59.29 -58.45 8.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.177 -0.92 . . . . 1.74 110.562 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.572 ' O ' HG21 ' A' ' 48' ' ' VAL . 41.0 mt-10 -65.3 -33.91 77.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.979 -0.555 . . . . 2.36 110.659 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.9 t -64.68 -38.97 92.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.876 -0.602 . . . . 1.64 111.138 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.459 ' HB2' HD23 ' A' ' 33' ' ' LEU . 17.9 mt -61.6 -41.1 96.97 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.905 -0.318 . . . . 1.81 110.284 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 71.2 tt0 -67.41 -38.29 84.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 1.76 110.523 -178.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 44' ' ' GLU . 58.0 t -56.11 -51.31 63.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.337 0.589 . . . . 1.23 109.424 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.596 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -57.51 -49.01 77.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.952 -1.022 . . . . 1.12 110.975 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.7 mt -53.64 -49.79 54.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.338 -0.847 . . . . 1.35 111.495 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 30.1 mm-40 -58.55 -43.83 89.42 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.226 0.536 . . . . 1.84 110.651 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.6 m -65.34 -52.93 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.479 -0.782 . . . . 1.01 111.02 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.613 ' CD1' HD12 ' A' ' 26' ' ' ILE . 2.9 pp -78.96 -20.44 49.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.757 0.651 . . . . 1.37 112.757 -173.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.563 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 27.1 tt0 -67.83 -38.06 82.74 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.388 -0.597 . . . . 1.65 109.388 177.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -73.98 -26.36 60.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.285 -0.871 . . . . 1.75 110.904 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.05 -44.48 10.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.043 0.757 . . . . 1.47 113.043 -173.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.491 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -77.61 -17.52 57.71 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.354 -0.839 . . . . 2.33 112.585 -164.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.582 ' O ' ' HE3' ' A' ' 19' ' ' LYS . . . 77.87 54.44 4.52 Favored Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 109.794 -1.322 . . . . 2.72 109.794 -170.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.563 ' CG2' ' HA ' ' A' ' 54' ' ' GLU . 29.3 m -137.51 -144.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.348 -0.426 . . . . 1.67 112.141 -166.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.548 ' OG1' ' HA ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -41.54 -167.24 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 118.465 2.765 . . . . 2.84 118.465 -159.661 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.466 ' HA ' ' HB3' ' A' ' 64' ' ' SER . 7.9 p 9.61 -38.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 116.733 2.123 . . . . 2.74 116.733 -134.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.0 mm-40 -72.79 -59.33 2.76 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 122.674 1.226 . . . . 4.01 109.102 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.545 ' HB2' ' C ' ' A' ' 59' ' ' VAL . 6.3 m-20 -77.98 6.46 7.75 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.229 -0.896 . . . . 3.62 110.13 177.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.567 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 9.5 t -86.84 -22.87 25.54 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.622 -0.881 . . . . 3.27 108.622 167.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.87 -36.77 84.38 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.375 -0.602 . . . . 3.46 109.375 171.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.511 HD22 ' OD2' ' A' ' 63' ' ' ASP . 3.9 pp -85.46 30.72 0.61 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 120.346 -0.542 . . . . 2.39 111.627 174.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 64' ' ' SER . . . -48.23 153.43 0.71 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.315 1.228 . . . . 1.89 114.315 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.96 163.51 18.62 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 114.629 -1.169 . . . . 1.72 110.128 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -53.46 -51.77 10.15 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.938 2.425 . . . . 3.19 113.771 -176.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -120.14 168.45 11.2 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.187 -0.301 . . . . 3.24 110.187 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.7 p -77.93 139.97 39.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.295 0.569 . . . . 1.99 110.228 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.665 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 4.1 mm? -68.83 -44.75 31.45 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.394 -0.821 . . . . 2.33 111.43 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.607 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 68.0 Cg_exo -47.11 -34.61 17.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.167 1.911 . . . . 1.23 113.431 173.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.42 -48.05 74.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.086 0.47 . . . . 2.28 109.944 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.436 HD13 HD11 ' A' ' 72' ' ' LEU . 81.2 mt -58.27 -38.25 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.464 0.649 . . . . 2.04 109.768 174.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.604 ' HE2' ' CE1' ' A' ' 76' ' ' PHE . 14.6 m-30 -69.33 -27.53 65.45 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.41 -0.813 . . . . 3.08 110.58 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 50.8 mt-10 -65.6 -26.56 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 2.52 110.04 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.85 -48.39 8.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.961 -0.563 . . . . 1.24 111.226 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.23 39.66 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.659 0.614 . . . . 1.47 112.659 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.0 -11.25 60.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.928 0.344 . . . . 1.7 111.928 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.443 ' HA ' ' SD ' ' B' ' 15' ' ' MET . 18.5 p -90.8 -12.72 35.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.195 0.521 . . . . 2.49 110.363 174.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.71 154.74 21.04 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.854 -0.612 . . . . 2.64 111.694 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.229 -0.891 . . . . 4.9 110.202 -178.321 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.443 ' SD ' ' HA ' ' A' ' 81' ' ' THR . 51.7 ttm . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.708 0.29 . . . . 4.05 110.446 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -78.53 84.79 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.152 0.501 . . . . 2.42 110.147 177.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 2.9 p-10 -86.01 -15.95 39.8 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.262 0.467 . . . . 2.52 112.262 -175.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 12.3 mptt -77.69 -32.59 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 2.39 110.684 -175.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.617 ' HE3' ' O ' ' B' ' 58' ' ' GLY . 20.3 ptmt -70.18 -45.82 65.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.494 -0.321 . . . . 1.97 110.8 177.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.413 ' O ' ' HD1' ' B' ' 23' ' ' TYR . 27.1 mtm180 -67.4 -23.17 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.516 0.675 . . . . 3.01 109.415 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.535 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 5.5 tp -62.05 -60.96 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.912 -1.04 . . . . 1.27 110.487 171.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.514 ' HB1' HG12 ' B' ' 59' ' ' VAL . . . -69.62 -34.95 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.403 . . . . 1.42 112.008 -175.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 1.597 ' HD1' ' CD2' ' B' ' 23' ' ' TYR . 0.0 OUTLIER -54.88 -44.61 74.23 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.169 0.509 . . . . 3.41 110.272 179.391 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.409 ' HB1' ' HB2' ' B' ' 72' ' ' LEU . . . -72.29 -36.21 68.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.749 -0.66 . . . . 1.62 110.914 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.58 -42.75 93.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.695 -0.684 . . . . 1.54 110.363 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.624 HD12 ' CD1' ' B' ' 53' ' ' LEU . 74.8 mt -59.15 -40.84 81.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.116 -0.493 . . . . 1.37 110.983 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -60.43 -43.38 96.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 1.67 111.098 177.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -72.53 -46.14 55.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.253 -0.43 . . . . 2.76 111.158 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 8.8 mp -60.42 -45.55 93.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.578 -0.283 . . . . 1.28 110.636 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -56.51 -38.27 71.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.984 0.421 . . . . 1.63 110.293 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.77 -48.4 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 1.98 110.713 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' B' ' 29' ' ' LEU . 2.6 pt20 -65.57 -33.23 75.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 1.93 110.484 -178.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' B' ' 29' ' ' LEU . 44.8 mt -62.82 -47.11 84.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.514 -0.312 . . . . 1.76 110.369 178.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -68.76 -27.41 65.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 4.03 110.864 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -87.38 3.52 46.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 3.47 111.373 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . 0.48 ' HA2' ' NE2' ' B' ' 43' ' ' GLN . . . 68.54 34.66 79.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.232 -0.509 . . . . 0.58 113.065 176.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.6 -53.42 35.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.07 -0.586 . . . . 0.53 111.941 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.82 151.84 20.4 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.497 -0.557 . . . . 1.21 109.497 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.7 t -65.51 157.37 29.79 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.414 0.446 . . . . 1.7 109.892 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 6.2 p -43.5 -49.23 7.38 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.925 1.083 . . . . 1.96 113.925 -170.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -61.63 -53.02 61.82 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.026 0.441 . . . . 2.21 110.929 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.75 78.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.715 -0.675 . . . . 1.13 110.775 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.48 ' NE2' ' HA2' ' B' ' 36' ' ' GLY . 15.0 tt0 -59.54 -58.12 9.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.156 -0.929 . . . . 1.74 110.64 -177.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.569 ' O ' HG21 ' B' ' 48' ' ' VAL . 41.0 mt-10 -65.51 -34.03 77.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.992 -0.549 . . . . 2.36 110.586 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 11.1 t -64.62 -38.81 92.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.891 -0.595 . . . . 1.64 111.164 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.469 ' HB2' HD23 ' B' ' 33' ' ' LEU . 17.9 mt -61.75 -41.07 97.19 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.874 -0.33 . . . . 1.81 110.261 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 70.8 tt0 -67.38 -38.34 84.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.259 -0.428 . . . . 1.75 110.564 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.569 HG21 ' O ' ' B' ' 44' ' ' GLU . 58.7 t -55.99 -51.34 62.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.415 -0.587 . . . . 1.23 109.415 173.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -57.51 -49.2 77.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.99 -1.005 . . . . 1.13 110.955 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 45.2 mt -53.39 -49.91 51.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.333 -0.849 . . . . 1.36 111.514 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 30.5 mm-40 -58.5 -43.89 89.22 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.15 0.5 . . . . 1.84 110.647 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 58.5 m -65.19 -52.99 51.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.518 -0.765 . . . . 1.01 111.117 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.624 ' CD1' HD12 ' B' ' 26' ' ' ILE . 2.9 pp -78.88 -20.55 49.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 112.732 0.641 . . . . 1.37 112.732 -173.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.585 ' HA ' ' CG2' ' B' ' 59' ' ' VAL . 27.3 tt0 -67.85 -37.85 82.38 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.399 -0.593 . . . . 1.66 109.399 177.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -74.34 -26.03 59.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.323 -0.853 . . . . 1.75 110.894 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.16 -44.64 10.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.935 0.717 . . . . 1.47 112.935 -174.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' B' ' 53' ' ' LEU . 0.2 OUTLIER -77.63 -18.1 57.1 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.344 -0.844 . . . . 2.32 112.732 -164.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . 0.617 ' O ' ' HE3' ' B' ' 19' ' ' LYS . . . 77.74 56.04 3.98 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 110.266 -1.133 . . . . 2.73 110.266 -171.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.585 ' CG2' ' HA ' ' B' ' 54' ' ' GLU . 35.6 m -139.51 -150.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 C-N-CA 124.855 1.262 . . . . 1.67 110.613 -161.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' THR . . . . . 0.58 ' OG1' ' HA ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -50.59 -160.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 128.641 2.777 . . . . 2.84 114.775 -153.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.534 ' HA ' ' HB3' ' B' ' 64' ' ' SER . 14.5 p -18.34 -17.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 118.165 2.654 . . . . 2.73 118.165 -114.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -75.77 -58.57 3.2 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 120.577 1.535 . . . . 4.0 109.377 167.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.526 ' HB2' ' C ' ' B' ' 59' ' ' VAL . 6.4 m-20 -77.22 4.47 10.44 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.289 -0.868 . . . . 3.62 110.139 177.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.563 ' O ' ' HB1' ' B' ' 67' ' ' ALA . 9.2 t -85.53 -23.29 27.77 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.748 -0.834 . . . . 3.28 108.748 168.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.23 -36.89 83.36 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.574 -0.528 . . . . 3.46 109.574 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.513 HD22 ' OD2' ' B' ' 63' ' ' ASP . 3.9 pp -84.46 28.13 0.67 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 120.644 -0.422 . . . . 2.39 112.052 174.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.563 ' HB1' ' O ' ' B' ' 64' ' ' SER . . . -46.23 153.05 0.36 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.581 1.326 . . . . 1.89 114.581 -175.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 82.1 mt -98.97 163.4 18.82 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 114.554 -1.203 . . . . 1.72 110.194 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -54.02 -50.28 14.19 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.746 2.298 . . . . 3.2 113.997 -175.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -121.14 168.06 11.98 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 110.093 -0.336 . . . . 3.24 110.093 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 36.6 p -77.62 143.53 38.17 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.323 0.582 . . . . 1.98 109.853 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.663 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 4.1 mm? -71.72 -44.52 12.15 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.377 -0.829 . . . . 2.33 111.15 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.589 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 67.4 Cg_exo -46.89 -34.87 17.06 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.298 1.999 . . . . 1.23 113.333 173.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.41 -47.85 74.86 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.134 0.492 . . . . 2.27 110.082 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.438 HD13 HD11 ' B' ' 72' ' ' LEU . 81.2 mt -58.42 -38.27 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.505 0.669 . . . . 2.04 109.694 174.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 1.663 ' HE1' ' CE2' ' B' ' 76' ' ' PHE . 14.5 m-30 -69.35 -27.38 65.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.372 -0.831 . . . . 3.08 110.602 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 50.5 mt-10 -65.74 -26.5 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 2.51 110.011 176.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.72 -48.74 8.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.91 -0.586 . . . . 1.24 111.215 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.39 -46.49 39.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.633 0.605 . . . . 1.47 112.633 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.23 -12.33 60.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.978 0.362 . . . . 1.7 111.978 -172.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.425 ' HA ' ' SD ' ' A' ' 15' ' ' MET . 19.2 p -90.07 -12.57 38.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.12 0.486 . . . . 2.49 110.491 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.68 155.08 21.14 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.869 -0.605 . . . . 2.63 111.644 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 tttm . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.389 -0.815 . . . . 4.9 110.069 -178.506 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.8 ptp . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.704 0.288 . . . . 4.05 110.309 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -87.04 133.94 33.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.551 . . . . 2.4 110.489 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -82.14 -25.44 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.989 -0.551 . . . . 2.52 111.068 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -67.93 -47.35 68.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.433 -0.348 . . . . 2.39 111.398 -173.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -42.1 87.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.334 -0.394 . . . . 1.98 110.933 177.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' HA ' ' OD1' ' A' ' 63' ' ' ASP . 65.7 mtp180 -73.58 -42.56 61.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.073 0.463 . . . . 3.0 111.118 -176.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.604 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -56.89 -49.72 74.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.61 0.719 . . . . 1.28 110.0 176.337 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.604 ' N ' ' HG ' ' A' ' 21' ' ' LEU . . . -77.91 -14.06 59.68 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.344 -0.843 . . . . 1.42 110.867 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 1.65 ' HE1' ' CE2' ' A' ' 23' ' ' TYR . 9.0 t80 -61.0 -43.87 98.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.329 0.585 . . . . 3.42 109.8 170.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.9 67.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.189 0.519 . . . . 1.62 109.932 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.457 ' HB ' ' O ' ' A' ' 22' ' ' ALA . 49.4 mt -63.4 -34.35 66.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.483 -0.781 . . . . 1.54 110.117 172.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.782 HD12 ' C ' ' A' ' 58' ' ' GLY . 77.5 mt -55.71 -53.8 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.402 -0.363 . . . . 1.37 110.72 175.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -53.17 -46.57 68.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.66 -0.7 . . . . 1.68 111.654 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' CE2' ' HE2' ' B' ' 18' ' ' LYS . 54.7 t80 -73.87 -50.2 21.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.417 -0.356 . . . . 2.76 111.168 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.516 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.0 mp -65.3 -29.93 70.74 Favored 'General case' 0 C--O 1.222 -0.345 0 N-CA-C 111.719 0.266 . . . . 1.28 111.719 -176.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.83 -45.79 77.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.409 . . . . 1.62 110.107 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.31 -44.59 75.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.419 0.628 . . . . 1.98 110.176 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -57.01 -46.48 82.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.782 -1.099 . . . . 1.92 111.473 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -64.25 -42.16 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 1.76 110.244 -177.475 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.02 -28.33 68.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 4.02 111.007 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -86.85 -11.36 51.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.169 -0.468 . . . . 3.46 110.769 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.63 41.74 34.53 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.888 -0.673 . . . . 0.58 111.947 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.94 -44.26 97.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.185 -0.531 . . . . 0.52 113.187 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.496 ' HG ' ' HB2' ' B' ' 56' ' ' ALA . 4.2 mm? -93.55 -174.42 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.004 0.43 . . . . 1.21 111.785 -178.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 m -69.15 167.2 16.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.586 -0.733 . . . . 1.7 111.151 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 p -59.28 -55.79 30.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.599 0.592 . . . . 1.97 112.599 -172.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.35 -43.29 95.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.935 0.398 . . . . 2.2 110.612 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.605 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -59.49 -39.6 84.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.691 -0.686 . . . . 1.13 110.841 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.427 ' O ' HD22 ' A' ' 33' ' ' LEU . 8.7 tt0 -55.71 -56.63 18.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 1.74 111.17 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.97 -33.15 73.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.425 0.631 . . . . 2.36 110.206 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.462 ' HB3' ' SG ' ' B' ' 52' ' ' CYS . 44.1 m -72.55 -40.97 66.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.29 -0.868 . . . . 1.64 111.602 -177.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 23.4 mt -58.88 -33.4 70.46 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 121.03 -0.268 . . . . 1.81 110.352 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.35 -51.8 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.849 -0.426 . . . . 1.76 109.849 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.2 t -56.63 -42.34 76.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.996 -0.547 . . . . 1.23 110.138 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.701 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -58.06 -42.9 86.46 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.475 -0.784 . . . . 1.12 110.439 176.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 46' ' ' LEU . 73.6 mt -61.46 -34.31 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 1.35 111.424 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 1.8 mp0 -63.54 -46.02 87.92 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.872 0.844 . . . . 1.84 109.876 174.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' B' ' 45' ' ' SER . 31.1 m -60.34 -42.75 96.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.903 -1.044 . . . . 1.01 109.988 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 57.5 mt -64.64 -39.11 93.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.064 -0.971 . . . . 1.37 110.049 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 51' ' ' GLN . 43.5 tt0 -50.33 -27.98 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.151 0.58 . . . . 1.65 111.634 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 m -83.36 -51.08 7.71 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.325 -0.55 . . . . 1.75 112.126 172.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.467 ' HB2' ' HG ' ' B' ' 38' ' ' LEU . . . -104.05 -43.71 5.2 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.957 1.836 . . . . 1.47 115.957 -169.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 1.666 ' HE2' ' CE1' ' A' ' 57' ' ' PHE . 19.4 t80 -153.02 66.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.923 0.392 . . . . 2.33 111.569 -150.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.782 ' C ' HD12 ' A' ' 26' ' ' ILE . . . 112.92 47.92 0.64 Allowed Glycine 0 C--N 1.292 -1.87 0 N-CA-C 105.95 -2.86 . . . . 2.72 105.95 -158.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.493 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -74.16 -167.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-N 108.495 -3.853 . . . . 1.67 114.709 -168.25 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 p -71.86 179.03 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 2.84 111.462 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.5 p -75.47 -5.81 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.44 0.638 . . . . 2.74 110.846 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.47 -37.3 85.41 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.622 0.725 . . . . 4.01 109.262 173.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.465 ' OD1' ' HA ' ' A' ' 20' ' ' ARG . 8.2 t70 -66.2 -27.5 68.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.092 -0.958 . . . . 3.62 109.758 177.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.0 t -64.6 -27.87 69.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 3.27 109.966 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -67.04 -42.15 85.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.418 . . . . 3.46 110.135 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.02 33.48 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.403 -0.362 . . . . 2.39 110.903 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.28 159.23 3.65 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.138 0.792 . . . . 1.89 113.138 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.8 mt -81.3 149.16 65.03 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.268 -0.878 . . . . 1.72 110.666 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.77 -23.64 76.95 Favored 'Trans proline' 0 N--CA 1.476 0.456 0 C-N-CA 124.175 3.25 . . . . 3.19 114.044 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.495 ' NE2' HD13 ' A' ' 75' ' ' ILE . 3.2 pt20 -128.93 156.05 44.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.993 -0.373 . . . . 3.24 109.993 -173.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 p -79.21 134.69 36.67 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.773 -0.825 . . . . 1.99 108.773 170.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.618 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 4.4 mm? -80.61 -44.16 1.31 Allowed Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 115.796 -0.638 . . . . 2.33 112.549 -173.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.555 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 75.6 Cg_exo -47.87 -35.0 23.45 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.897 1.732 . . . . 1.23 113.292 173.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.28 -41.82 80.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 2.28 110.203 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.495 HD13 ' NE2' ' A' ' 70' ' ' GLN . 27.3 mm -61.52 -40.04 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.714 -0.675 . . . . 2.04 110.531 175.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.625 ' HD1' ' CD2' ' A' ' 76' ' ' PHE . 13.0 m-30 -61.72 -33.64 74.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.612 -0.722 . . . . 3.08 110.477 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -71.36 -31.44 67.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.152 -0.477 . . . . 2.52 111.157 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.85 -64.04 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.202 0.445 . . . . 1.24 112.202 -175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.35 93.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.876 0.369 . . . . 1.47 111.933 -171.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.452 ' HA ' ' OE1' ' B' ' 70' ' ' GLN . . . -72.93 -13.52 61.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 1.7 112.15 -173.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.1 t -107.49 -4.7 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.829 -0.348 . . . . 2.49 110.789 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.78 120.45 0.81 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.878 -0.677 . . . . 2.64 112.041 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.671 -0.681 . . . . 4.9 110.473 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.933 0.397 . . . . 4.05 110.424 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -86.71 133.92 33.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 2.42 110.57 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 64.4 t30 -82.11 -25.57 34.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.013 -0.54 . . . . 2.52 111.104 -177.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.408 ' HE2' ' CE2' ' A' ' 28' ' ' PHE . 45.6 mmtm -67.85 -47.45 68.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.519 -0.309 . . . . 2.39 111.303 -172.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -42.23 87.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.32 -0.4 . . . . 1.97 110.937 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 65.4 mtp180 -73.33 -42.86 61.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.17 0.51 . . . . 3.01 111.201 -176.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.626 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 0.1 OUTLIER -56.67 -49.79 74.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.722 0.772 . . . . 1.27 110.068 176.403 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.626 ' N ' ' HG ' ' B' ' 21' ' ' LEU . . . -77.71 -14.99 59.45 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.223 -0.899 . . . . 1.42 110.807 -175.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 1.642 ' HD1' ' CD2' ' B' ' 23' ' ' TYR . 9.1 t80 -60.18 -43.93 95.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.277 0.561 . . . . 3.41 109.856 170.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.99 67.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.295 0.569 . . . . 1.62 109.937 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.467 ' HB ' ' O ' ' B' ' 22' ' ' ALA . 48.8 mt -63.5 -34.37 67.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.308 -0.86 . . . . 1.54 110.08 172.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.684 HD12 ' C ' ' B' ' 58' ' ' GLY . 77.4 mt -55.67 -53.72 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.366 -0.379 . . . . 1.37 110.716 175.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -53.2 -46.6 69.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.812 -0.631 . . . . 1.67 111.672 -175.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -73.9 -50.12 21.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.376 . . . . 2.76 111.228 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.525 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.0 mp -65.26 -29.91 70.73 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 111.827 0.306 . . . . 1.28 111.827 -176.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -66.81 -45.87 76.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.982 0.42 . . . . 1.63 110.124 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -68.33 -44.59 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 1.98 110.064 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -56.94 -46.65 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.902 -1.045 . . . . 1.93 111.431 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.5 OUTLIER -64.18 -42.26 96.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.865 -0.607 . . . . 1.76 110.224 -177.379 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.0 -28.27 68.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 4.03 110.935 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -86.74 -11.59 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.149 0.499 . . . . 3.47 110.83 -178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.64 42.02 33.6 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.952 -0.642 . . . . 0.58 111.949 -177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.96 -44.39 97.22 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.231 -0.509 . . . . 0.53 113.095 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.467 ' HG ' ' HB2' ' A' ' 56' ' ' ALA . 4.2 mm? -93.3 -174.09 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.124 0.488 . . . . 1.21 111.777 -178.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m -69.58 167.19 17.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.501 -0.772 . . . . 1.7 111.158 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.3 p -59.53 -55.43 34.62 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.635 0.606 . . . . 1.96 112.635 -172.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.71 -43.28 93.98 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.886 0.374 . . . . 2.21 110.487 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.587 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -59.41 -39.64 84.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.81 -0.632 . . . . 1.13 110.828 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.431 ' O ' HD22 ' B' ' 33' ' ' LEU . 8.8 tt0 -55.61 -56.63 18.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 1.74 111.147 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -62.25 -32.83 73.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.499 0.666 . . . . 2.36 110.247 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' SER . . . . . 0.459 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 45.8 m -72.66 -41.08 65.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.227 -0.897 . . . . 1.64 111.525 -177.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 23.1 mt -58.83 -33.37 70.32 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 121.003 -0.279 . . . . 1.81 110.335 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.42 -51.76 68.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.769 -0.456 . . . . 1.75 109.769 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.6 t -56.65 -42.45 76.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.954 -0.566 . . . . 1.23 110.114 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.712 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -57.96 -42.81 85.74 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.504 -0.771 . . . . 1.13 110.495 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 46' ' ' LEU . 73.7 mt -61.57 -34.13 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 1.36 111.469 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' B' ' 54' ' ' GLU . 1.8 mp0 -63.71 -46.05 87.19 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.866 0.841 . . . . 1.84 109.913 174.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 45' ' ' SER . 30.5 m -60.13 -42.92 95.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.934 -1.03 . . . . 1.01 109.984 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 57.8 mt -64.4 -39.42 93.82 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.055 -0.975 . . . . 1.37 109.905 176.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' B' ' 51' ' ' GLN . 43.1 tt0 -50.02 -28.09 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.135 0.574 . . . . 1.66 111.612 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 8.5 m -82.36 -56.38 3.93 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.185 -0.606 . . . . 1.75 111.755 171.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.496 ' HB2' ' HG ' ' A' ' 38' ' ' LEU . . . -94.61 -45.73 7.26 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 117.658 2.466 . . . . 1.47 117.658 -171.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 1.666 ' HD2' ' CD1' ' B' ' 57' ' ' PHE . 11.4 t80 -148.12 49.25 1.05 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 115.28 1.585 . . . . 2.32 115.28 -141.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . 0.684 ' C ' HD12 ' B' ' 26' ' ' ILE . . . 109.32 58.33 0.53 Allowed Glycine 0 CA--C 1.475 -2.433 0 N-CA-C 106.425 -2.67 . . . . 2.73 106.425 -148.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.557 ' N ' HD12 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -87.69 -169.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.213 1 CA-C-N 106.007 -5.096 . . . . 1.67 112.661 -167.022 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 36.2 p -69.73 179.02 2.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.364 0.602 . . . . 2.84 111.748 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.7 p -75.11 -6.05 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.398 0.618 . . . . 2.73 110.927 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.39 -37.2 84.85 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.676 0.751 . . . . 4.0 109.368 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' B' ' 20' ' ' ARG . 8.3 t70 -66.19 -27.62 68.13 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.092 -0.958 . . . . 3.62 109.697 177.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 14.1 t -64.49 -27.93 69.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.892 -0.595 . . . . 3.28 110.035 178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -66.91 -41.87 86.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 3.46 110.18 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.02 29.35 4.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.234 -0.439 . . . . 2.39 111.207 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.27 159.26 1.38 Allowed 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.366 0.876 . . . . 1.89 113.366 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 61.2 mt -81.62 149.16 63.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.21 -0.905 . . . . 1.72 110.802 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.98 -23.19 76.87 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.009 3.139 . . . . 3.2 114.281 -176.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . 0.505 ' NE2' HD13 ' B' ' 75' ' ' ILE . 3.3 pt20 -129.07 156.16 44.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.964 -0.384 . . . . 3.24 109.964 -173.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 16.4 p -79.36 140.29 37.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.836 -1.172 . . . . 1.98 107.836 170.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.626 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 4.4 mm? -83.93 -44.56 0.78 Allowed Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.666 -0.697 . . . . 2.33 112.487 -173.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.552 ' HA ' ' CD2' ' B' ' 76' ' ' PHE . 75.5 Cg_exo -47.74 -35.31 23.34 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.0 1.8 . . . . 1.23 113.157 173.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.14 -41.59 81.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.144 0.497 . . . . 2.27 110.31 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.505 HD13 ' NE2' ' B' ' 70' ' ' GLN . 27.4 mm -61.78 -39.92 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 2.04 110.495 175.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 1.659 ' HE2' ' CE1' ' B' ' 76' ' ' PHE . 12.9 m-30 -61.77 -33.54 74.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.628 -0.715 . . . . 3.08 110.531 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -71.24 -32.54 68.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.191 -0.459 . . . . 2.51 111.078 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.25 -64.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.605 0.594 . . . . 1.24 112.605 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.02 -39.51 93.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.248 -0.433 . . . . 1.47 111.871 -171.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.406 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . . . -72.89 -13.59 61.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.193 -0.458 . . . . 1.7 112.045 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.2 t -107.4 -4.59 18.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.79 0.329 . . . . 2.49 110.73 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.98 120.3 0.8 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.821 -0.704 . . . . 2.63 112.06 -178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.748 -0.644 . . . . 4.9 110.446 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.47 ' HE3' ' CG ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 109.849 -0.426 . . . . 4.05 109.849 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 7.7 m-20 -112.05 76.92 1.0 Allowed 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.139 -0.689 . . . . 2.4 109.139 175.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.47 ' CG ' ' HE3' ' A' ' 15' ' ' MET . 29.6 p-10 -85.44 -18.32 33.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.353 -0.385 . . . . 2.52 110.845 -177.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HD2' ' CZ ' ' B' ' 28' ' ' PHE . 31.0 mmtp -71.53 -39.63 70.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.386 -0.37 . . . . 2.39 110.047 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HE3' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -69.0 -20.32 64.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 1.98 110.353 174.36 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.656 ' O ' ' HB3' ' A' ' 23' ' ' TYR . 12.3 mtt180 -85.04 -13.24 51.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 3.0 110.477 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.545 ' O ' HG12 ' A' ' 25' ' ' ILE . 14.1 tp -75.16 -35.11 61.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.985 -0.746 . . . . 1.28 108.985 170.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.701 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -62.13 -33.64 74.86 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.534 -0.543 . . . . 1.42 109.534 172.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.955 ' CE1' ' HB2' ' A' ' 62' ' ' GLU . 62.7 t80 -50.35 -50.25 51.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.274 -0.875 . . . . 3.42 109.406 172.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.02 80.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.276 -0.874 . . . . 1.62 111.453 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 21' ' ' LEU . 9.7 mm -67.75 -55.46 16.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.075 -0.966 . . . . 1.54 110.214 -172.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.0 mt -64.98 -38.25 82.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.114 -0.494 . . . . 1.37 110.586 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -62.22 -49.15 76.87 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.653 0.263 . . . . 1.68 111.139 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' HB2' ' HG3' ' A' ' 73' ' ' PRO . 13.3 t80 -64.2 -56.14 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.259 0.552 . . . . 2.76 110.294 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.668 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.5 mp -60.88 -32.68 72.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.039 -0.982 . . . . 1.28 111.662 -176.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -55.75 -58.25 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.114 0.483 . . . . 1.62 111.1 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.68 -36.72 59.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.131 -0.486 . . . . 1.98 111.123 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.03 -34.03 74.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.995 0.426 . . . . 1.92 110.121 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.668 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.46 -50.66 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.734 -0.667 . . . . 1.76 109.718 176.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 4.9 tpm_? -64.41 -31.52 72.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.63 -0.714 . . . . 4.02 111.151 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -82.17 -12.18 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.964 0.412 . . . . 3.46 111.057 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.69 37.71 67.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.036 -0.602 . . . . 0.58 112.134 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 -32.44 81.91 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.257 -0.497 . . . . 0.52 112.783 -177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.453 HD21 HD12 ' A' ' 46' ' ' LEU . 3.7 mm? -111.57 152.53 27.47 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.983 -0.377 . . . . 1.21 109.983 177.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.2 t -71.68 171.22 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 1.7 110.118 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 m -42.49 -57.42 2.65 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.632 0.975 . . . . 1.97 113.632 -169.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.85 -42.24 95.05 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.138 0.494 . . . . 2.2 111.252 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.97 -35.28 69.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.033 -0.531 . . . . 1.13 111.019 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.51 ' O ' HD22 ' A' ' 33' ' ' LEU . 9.0 tt0 -63.83 -52.68 59.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 1.74 110.662 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.32 -27.81 69.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.959 0.409 . . . . 2.36 110.436 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.3 m -67.53 -31.01 70.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 1.64 111.065 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 33.7 mt -63.57 -46.63 85.03 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.481 -0.563 . . . . 1.81 109.481 176.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 43.1 tt0 -58.52 -45.3 89.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 1.76 110.938 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.1 -42.54 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 1.23 110.41 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.64 94.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 1.12 110.82 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 46' ' ' LEU . 75.6 mt -55.68 -48.46 77.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 1.35 110.552 176.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 31.3 mm-40 -62.12 -40.27 95.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.55 . . . . 1.84 110.896 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.0 m -68.65 -46.64 68.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.9 -0.591 . . . . 1.01 111.269 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.3 mt -69.38 -28.49 66.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.686 -0.234 . . . . 1.37 111.175 -177.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 1.7 tm-20 -58.17 -49.82 75.69 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.505 -0.554 . . . . 1.65 109.505 173.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.7 m -68.79 -34.78 76.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.715 -0.675 . . . . 1.75 110.766 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.2 -67.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.6 -0.727 . . . . 1.47 112.034 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 1.605 ' HD1' ' CD2' ' A' ' 57' ' ' PHE . 98.4 m-85 -83.51 -9.25 59.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.022 0.439 . . . . 2.33 111.81 -173.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.36 45.02 20.3 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.884 -0.674 . . . . 2.72 112.429 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.61 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 5.3 m -125.43 172.75 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-O 121.691 0.758 . . . . 1.67 111.646 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -90.02 -170.18 2.69 Favored 'General case' 0 N--CA 1.432 -1.345 0 N-CA-C 107.019 -1.475 . . . . 2.84 107.019 159.665 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.404 HG11 ' OE2' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -52.86 -59.78 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 118.76 0.709 . . . . 2.74 112.548 -177.771 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.955 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -149.92 7.29 0.63 Allowed 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 123.456 1.598 . . . . 4.01 107.911 -179.543 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.56 ' HB2' ' OG1' ' A' ' 60' ' ' THR . 8.9 t70 -31.61 -86.87 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 110.203 -3.181 . . . . 3.62 113.912 -134.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.7 t -123.57 -40.08 2.37 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.69 -0.804 . . . . 3.27 110.274 171.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -54.7 -26.87 36.51 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.25 -0.886 . . . . 3.46 111.578 -169.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.573 ' N ' HD21 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -125.32 14.56 8.31 Favored 'General case' 0 N--CA 1.425 -1.704 0 C-N-CA 119.968 -0.693 . . . . 2.39 110.739 -173.179 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.616 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . . . -64.63 119.86 11.31 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.712 -0.676 . . . . 1.89 110.639 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 66' ' ' LEU . 95.8 mt -114.48 153.93 46.59 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.518 -0.765 . . . . 1.72 110.631 -173.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -42.45 -50.66 5.54 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 124.013 3.142 . . . . 3.19 113.524 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -123.42 178.14 5.3 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.553 -0.536 . . . . 3.24 109.553 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 49.9 p -85.01 140.48 31.0 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.441 0.639 . . . . 1.99 110.212 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.656 ' N ' ' HD2' ' A' ' 73' ' ' PRO . 4.2 mm? -70.53 -36.28 5.5 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.131 -0.941 . . . . 2.33 112.625 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 72' ' ' LEU . 1.8 Cg_endo -48.2 -43.11 32.25 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 121.828 1.686 . . . . 1.23 112.057 172.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.56 -43.56 89.46 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.122 0.487 . . . . 2.28 110.461 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.4 mt -59.5 -36.19 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.813 -0.63 . . . . 2.04 110.186 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -75.46 -22.13 57.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.937 -0.574 . . . . 3.08 110.959 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 44.1 mt-10 -71.71 -17.98 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.827 -0.434 . . . . 2.52 109.827 173.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.72 -44.89 9.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.871 -0.604 . . . . 1.24 110.779 171.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.15 -54.14 4.81 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.083 0.772 . . . . 1.47 113.083 -172.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' B' ' 72' ' ' LEU . . . -70.17 -13.25 62.11 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.1 0.476 . . . . 1.7 111.683 -173.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.0 m -81.1 -16.22 53.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.819 -0.628 . . . . 2.49 110.463 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.57 116.89 0.83 Allowed Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.762 -0.653 . . . . 2.64 111.524 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.581 -0.724 . . . . 4.9 110.11 -179.183 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.457 ' HE3' ' CG ' ' B' ' 17' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.684 -0.487 . . . . 4.05 109.684 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 6.5 m-20 -112.04 77.33 1.03 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.044 -0.724 . . . . 2.42 109.044 175.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.457 ' CG ' ' HE3' ' B' ' 15' ' ' MET . 29.5 p-10 -85.48 -18.55 33.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.172 -0.467 . . . . 2.52 110.786 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.416 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 31.0 mmtp -71.41 -39.68 70.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.426 -0.352 . . . . 2.39 110.147 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.559 ' HE3' ' CG1' ' B' ' 59' ' ' VAL . 0.0 OUTLIER -68.98 -20.42 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 1.97 110.42 174.385 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.67 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 12.1 mtt180 -84.09 -15.27 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.255 0.55 . . . . 3.01 110.413 175.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.543 ' O ' HG12 ' B' ' 25' ' ' ILE . 14.1 tp -73.73 -35.29 65.05 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.149 -0.686 . . . . 1.27 109.149 170.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.689 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -62.15 -33.62 74.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.578 -0.527 . . . . 1.42 109.578 172.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.956 ' CE1' ' HB2' ' B' ' 62' ' ' GLU . 62.8 t80 -50.37 -50.15 52.26 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.196 -0.911 . . . . 3.41 109.388 172.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.05 80.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.318 -0.855 . . . . 1.62 111.371 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.543 HG12 ' O ' ' B' ' 21' ' ' LEU . 9.7 mm -67.72 -55.34 17.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.086 -0.961 . . . . 1.54 110.264 -172.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 44.7 mt -65.1 -38.25 82.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.106 -0.497 . . . . 1.37 110.561 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.09 -49.19 76.93 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.834 0.35 . . . . 1.67 111.167 176.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 0.477 ' HB2' ' HG3' ' B' ' 73' ' ' PRO . 13.2 t80 -64.31 -56.15 16.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.23 0.538 . . . . 2.76 110.324 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.666 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.5 mp -60.75 -32.89 72.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.159 -0.928 . . . . 1.28 111.662 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -55.59 -58.34 8.19 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.184 0.516 . . . . 1.63 111.039 178.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.6 -36.72 60.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.113 -0.494 . . . . 1.98 111.13 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.05 -34.13 74.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.043 0.449 . . . . 1.93 110.146 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.666 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -64.42 -50.6 66.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.665 -0.698 . . . . 1.76 109.702 176.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.478 ' NE ' ' HA ' ' B' ' 34' ' ' ARG . 4.9 tpm_? -64.42 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.529 -0.76 . . . . 4.03 111.071 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -82.5 -11.88 58.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 3.47 111.048 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.5 37.69 69.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.122 -0.561 . . . . 0.58 112.073 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.85 -32.46 81.95 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.299 -0.477 . . . . 0.53 112.678 -177.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.434 HD21 HD12 ' B' ' 46' ' ' LEU . 3.7 mm? -111.67 152.67 27.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.891 -0.411 . . . . 1.21 109.891 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.8 t -71.73 171.09 12.2 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.295 -0.412 . . . . 1.7 110.11 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 8.8 m -42.52 -57.36 2.69 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.815 1.042 . . . . 1.96 113.815 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.94 -42.11 94.93 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.005 0.431 . . . . 2.21 111.218 -175.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.28 69.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.136 -0.484 . . . . 1.13 111.07 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.507 ' O ' HD22 ' B' ' 33' ' ' LEU . 9.2 tt0 -63.82 -52.6 59.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.638 -0.71 . . . . 1.74 110.654 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.37 -27.94 69.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 2.36 110.505 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -67.5 -31.02 70.86 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.894 -0.593 . . . . 1.64 111.054 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.465 ' HB2' ' CD2' ' B' ' 33' ' ' LEU . 33.5 mt -63.57 -46.57 85.27 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.53 -0.545 . . . . 1.81 109.53 176.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 43.3 tt0 -58.63 -45.05 90.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.292 -0.867 . . . . 1.75 110.989 -178.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -64.35 -42.56 95.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 1.23 110.269 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.61 94.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 1.13 110.829 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 46' ' ' LEU . 75.8 mt -55.5 -48.58 77.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 1.36 110.626 176.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 30.6 mm-40 -62.08 -40.29 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 1.84 110.847 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 72.6 m -68.66 -46.66 68.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 1.01 111.207 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 85.7 mt -69.45 -28.54 66.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.675 -0.239 . . . . 1.37 111.163 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 1.7 tm-20 -58.01 -49.95 75.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.619 -0.511 . . . . 1.66 109.619 173.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -68.64 -34.81 76.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.597 -0.729 . . . . 1.75 110.7 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.17 -67.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.728 -0.669 . . . . 1.47 112.138 -177.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 1.661 ' HD1' ' CD2' ' B' ' 57' ' ' PHE . 98.4 m-85 -83.56 -9.6 58.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.344 -0.389 . . . . 2.32 111.778 -173.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.68 44.91 19.12 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.978 -0.629 . . . . 2.73 112.316 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.614 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 5.4 m -125.26 172.89 12.24 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-O 121.626 0.727 . . . . 1.67 111.749 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' THR . . . . . 0.526 ' OG1' ' HB2' ' B' ' 63' ' ' ASP . 0.7 OUTLIER -90.49 -171.05 2.94 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 106.869 -1.53 . . . . 2.84 106.869 159.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.403 HG11 ' OE2' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -53.87 -59.12 2.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 118.809 0.731 . . . . 2.73 112.594 -176.642 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.956 ' HB2' ' CE1' ' B' ' 23' ' ' TYR . 0.0 OUTLIER -146.4 7.66 1.01 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 123.262 1.506 . . . . 4.0 108.935 178.749 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.526 ' HB2' ' OG1' ' B' ' 60' ' ' THR . 14.6 t70 -41.14 -83.51 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 111.355 -2.657 . . . . 3.62 115.027 -125.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 19.7 t -110.08 -48.38 3.2 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 119.76 1.164 . . . . 3.28 113.019 165.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -52.49 -26.65 13.57 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 112.412 -2.176 . . . . 3.46 111.339 -163.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.569 ' N ' HD21 ' B' ' 66' ' ' LEU . 0.4 OUTLIER -125.04 14.66 8.47 Favored 'General case' 0 N--CA 1.421 -1.887 0 C-N-CA 120.056 -0.658 . . . . 2.39 110.644 -173.472 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.612 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . . . -64.49 119.94 11.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.917 -0.583 . . . . 1.89 110.544 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 66' ' ' LEU . 95.9 mt -114.77 154.09 46.86 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.568 -0.742 . . . . 1.72 110.578 -173.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -43.16 -49.68 7.02 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.946 3.098 . . . . 3.2 113.679 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -123.96 177.96 5.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.451 -0.574 . . . . 3.24 109.451 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.5 p -84.88 143.87 28.76 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.558 0.694 . . . . 1.98 109.862 177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.663 ' N ' ' HD2' ' B' ' 73' ' ' PRO . 4.2 mm? -73.35 -36.15 3.02 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.016 -0.993 . . . . 2.33 112.284 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' B' ' 72' ' ' LEU . 1.7 Cg_endo -48.12 -43.04 31.96 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.806 1.671 . . . . 1.23 112.021 172.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.66 -43.8 88.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.047 0.451 . . . . 2.27 110.399 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.3 -36.09 61.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.954 -0.566 . . . . 2.04 110.23 176.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -75.56 -22.08 57.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.993 -0.549 . . . . 3.08 111.0 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.2 mt-10 -71.47 -19.36 62.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.698 -0.482 . . . . 2.51 109.698 173.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.55 -46.01 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 1.24 110.977 171.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.62 -54.2 4.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.174 0.805 . . . . 1.47 113.174 -172.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.418 ' HA ' HD12 ' A' ' 72' ' ' LEU . . . -70.17 -13.3 62.13 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.105 0.478 . . . . 1.7 111.619 -173.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.1 m -81.24 -15.93 54.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.777 -0.647 . . . . 2.49 110.446 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.63 117.23 0.85 Allowed Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.741 -0.663 . . . . 2.63 111.48 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.485 -0.769 . . . . 4.9 110.003 -179.246 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 45.7 ttp . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.943 0.402 . . . . 4.05 110.465 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.66 93.22 4.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.103 -0.499 . . . . 2.4 110.298 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' OD1' ' HA ' ' B' ' 81' ' ' THR . 12.6 t30 -72.46 -6.02 40.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.442 0.639 . . . . 2.52 109.77 178.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -46.68 -47.54 20.29 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.85 -1.068 . . . . 2.39 110.191 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HB3' HG13 ' A' ' 59' ' ' VAL . 30.3 mtmt -62.7 -34.72 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.884 -1.053 . . . . 1.98 110.935 -175.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.701 ' O ' ' HB3' ' A' ' 23' ' ' TYR . 32.8 mtm180 -85.56 -13.82 47.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.542 -0.754 . . . . 3.0 111.058 -172.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.31 -49.18 75.0 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.752 -0.833 . . . . 1.28 108.752 167.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.593 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -61.09 -36.57 80.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.823 -0.626 . . . . 1.42 110.382 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 1.65 ' HD1' ' CD2' ' A' ' 23' ' ' TYR . 10.5 t80 -41.84 -58.77 1.91 Allowed 'General case' 0 N--CA 1.462 0.132 0 O-C-N 124.029 0.831 . . . . 3.42 111.658 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HB3' ' HG ' ' A' ' 72' ' ' LEU . . . -76.27 -26.42 55.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.087 -0.506 . . . . 1.62 111.799 -173.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.519 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 76.5 mt -66.28 -42.2 90.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.099 -0.704 . . . . 1.54 109.099 175.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.81 -50.85 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.733 -0.667 . . . . 1.37 110.304 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.509 ' NE2' HG13 ' A' ' 61' ' ' VAL . 28.8 mm-40 -57.02 -55.27 36.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.004 -0.544 . . . . 1.68 111.995 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -71.03 -47.99 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.082 -0.508 . . . . 2.76 111.365 -172.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.586 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 11.0 mp -65.09 -26.34 68.18 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.036 -0.265 . . . . 1.28 111.0 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -58.11 -54.14 50.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.308 0.575 . . . . 1.62 110.585 174.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.09 -37.29 54.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.988 -0.551 . . . . 1.98 110.839 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.66 -34.04 68.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.33 0.586 . . . . 1.92 109.823 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.586 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.13 -53.98 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.93 -1.032 . . . . 1.76 109.895 176.487 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -78.89 -11.44 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.556 -0.747 . . . . 4.02 111.696 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -89.29 -13.89 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 3.46 110.612 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.71 40.25 76.56 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.846 -0.616 . . . . 0.58 111.825 -178.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.9 -45.08 96.46 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 121.236 -0.507 . . . . 0.52 113.085 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.445 HD21 HD13 ' A' ' 46' ' ' LEU . 3.1 mm? -105.61 -177.59 3.41 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.922 -0.163 . . . . 1.21 110.582 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.5 t -71.6 -177.24 1.81 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.784 0.326 . . . . 1.7 111.074 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -59.09 -62.39 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 1.97 111.924 -174.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.9 -37.68 84.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 2.2 110.7 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.02 87.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.737 -0.665 . . . . 1.13 110.751 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.433 ' O ' HD22 ' A' ' 33' ' ' LEU . 8.8 tt0 -59.5 -53.88 53.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 1.74 110.122 177.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.87 -33.03 68.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.878 0.37 . . . . 2.36 110.904 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.5 m -66.0 -33.92 76.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 1.64 111.433 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.507 ' O ' HG13 ' A' ' 50' ' ' ILE . 27.6 mt -60.94 -49.73 76.29 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.116 0.484 . . . . 1.81 109.736 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.27 -42.75 91.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.103 -0.953 . . . . 1.76 111.3 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.34 -44.19 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.922 0.391 . . . . 1.23 110.106 177.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.76 92.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 1.12 110.913 178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 46' ' ' LEU . 67.2 mt -53.62 -55.12 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.028 -0.533 . . . . 1.35 110.684 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -63.85 -36.8 85.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 1.84 111.352 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.7 m -65.06 -50.18 67.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 1.01 110.889 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.87 -34.9 74.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.594 0.235 . . . . 1.37 111.177 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.39 -48.76 76.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.285 0.564 . . . . 1.65 109.826 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 m -73.52 -32.87 64.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.443 -0.798 . . . . 1.75 110.768 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.84 -54.97 35.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 1.47 111.743 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 1.61 ' HE2' ' CE1' ' A' ' 57' ' ' PHE . 88.1 m-85 -90.28 0.92 57.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.874 0.369 . . . . 2.33 111.535 -176.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.24 44.53 90.69 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.768 -0.651 . . . . 2.72 112.745 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 19' ' ' LYS . 7.9 m -126.4 177.94 4.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.746 0.308 . . . . 1.67 110.939 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.566 ' OG1' ' HB2' ' A' ' 63' ' ' ASP . 2.7 p -118.3 -171.64 2.11 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.189 -0.671 . . . . 2.84 109.189 171.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.509 HG13 ' NE2' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -34.79 -69.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 122.456 1.122 . . . . 2.74 113.408 -173.001 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HB2' ' HE2' ' A' ' 23' ' ' TYR . 12.5 pt-20 -147.12 12.38 1.08 Allowed 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.632 -1.622 . . . . 4.01 107.138 -174.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.566 ' HB2' ' OG1' ' A' ' 60' ' ' THR . 17.6 t70 -8.31 -86.39 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 111.092 -2.776 . . . . 3.62 109.851 -132.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.6 t -138.54 -35.27 0.6 Allowed 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.832 -0.747 . . . . 3.27 110.639 155.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.6 -15.39 63.63 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.352 0.501 . . . . 3.46 112.352 -168.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.465 ' N ' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -111.67 11.69 21.1 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.191 -0.604 . . . . 2.39 110.557 -178.556 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.575 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . . . -60.75 129.3 40.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.696 -0.684 . . . . 1.89 110.702 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 67.2 mt -121.41 141.45 33.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 110.413 -0.217 . . . . 1.72 110.413 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -47.23 -53.34 6.51 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.045 2.497 . . . . 3.19 113.566 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -113.89 159.22 20.1 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.934 -0.395 . . . . 3.24 109.934 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 53.3 p -74.74 139.65 43.55 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.314 0.578 . . . . 1.99 110.045 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.5 mt -72.1 -40.25 7.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.34 -0.846 . . . . 2.33 113.238 -173.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -46.95 -35.75 18.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.963 1.775 . . . . 1.23 113.162 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.11 -44.32 80.24 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.175 0.512 . . . . 2.28 109.815 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.97 -38.72 75.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.601 -0.727 . . . . 2.04 109.926 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.646 ' HD1' ' CD2' ' A' ' 76' ' ' PHE . 14.8 m-30 -66.91 -35.82 80.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.476 -0.783 . . . . 3.08 110.9 -175.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -75.68 -16.03 60.23 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.551 -0.459 . . . . 2.52 110.807 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.38 -54.83 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 1.24 111.45 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.19 -52.63 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.186 0.517 . . . . 1.47 111.815 -175.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 76' ' ' PHE . . . -68.44 -9.86 51.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.397 -0.82 . . . . 1.7 111.86 -172.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.471 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 7.2 t -72.35 -16.61 61.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.107 0.479 . . . . 2.49 110.662 177.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.61 102.86 0.16 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.943 -0.646 . . . . 2.64 111.799 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 tttp . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.588 -0.72 . . . . 4.9 109.929 -178.437 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 45.4 ttp . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.827 0.346 . . . . 4.05 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.62 93.19 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.305 -0.407 . . . . 2.42 110.345 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.471 ' OD1' ' HA ' ' A' ' 81' ' ' THR . 12.5 t30 -72.46 -6.0 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.434 0.635 . . . . 2.52 109.665 178.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -46.73 -47.42 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.927 -1.033 . . . . 2.39 110.118 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.418 ' HB3' HG13 ' B' ' 59' ' ' VAL . 30.3 mtmt -62.83 -34.99 78.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.104 -0.953 . . . . 1.97 110.947 -175.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.701 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 31.9 mtm180 -84.26 -15.67 45.92 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.43 -0.805 . . . . 3.01 111.158 -173.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.03 -49.3 76.55 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.909 -0.775 . . . . 1.27 108.909 167.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.59 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -61.2 -36.66 80.49 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.815 -0.629 . . . . 1.42 110.283 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 1.663 ' HD2' ' CD1' ' B' ' 23' ' ' TYR . 10.5 t80 -41.76 -58.74 1.89 Allowed 'General case' 0 C--N 1.333 -0.141 0 O-C-N 124.06 0.85 . . . . 3.41 111.647 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.434 ' HB3' ' HG ' ' B' ' 72' ' ' LEU . . . -76.4 -26.32 55.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.131 -0.486 . . . . 1.62 111.746 -173.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 76.7 mt -66.31 -42.18 90.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.074 -0.713 . . . . 1.54 109.074 175.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.8 -50.81 73.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.73 -0.668 . . . . 1.37 110.347 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.507 ' NE2' HG13 ' B' ' 61' ' ' VAL . 28.0 mm-40 -57.09 -55.19 37.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.015 -0.539 . . . . 1.67 111.959 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -71.14 -48.0 54.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.179 -0.464 . . . . 2.76 111.395 -172.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 11.0 mp -64.96 -26.3 68.24 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.116 -0.233 . . . . 1.28 110.977 -178.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -58.24 -54.2 49.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.315 0.579 . . . . 1.63 110.48 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -37.27 55.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.844 -0.616 . . . . 1.98 110.916 -178.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -57.65 -34.09 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.29 0.567 . . . . 1.93 109.771 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.571 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -59.05 -53.87 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.966 -1.016 . . . . 1.76 110.017 176.404 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -79.08 -11.32 59.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.538 -0.756 . . . . 4.03 111.591 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -89.43 -13.61 37.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.0 0.429 . . . . 3.47 110.702 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.57 40.2 78.09 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.815 -0.63 . . . . 0.58 111.909 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.71 -45.28 95.97 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.281 -0.485 . . . . 0.53 112.997 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.454 HD21 HD13 ' B' ' 46' ' ' LEU . 3.1 mm? -105.5 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.483 -0.191 . . . . 1.21 110.483 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.0 t -71.97 -176.85 1.83 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.656 0.265 . . . . 1.7 111.084 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 44.4 t -59.36 -62.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 1.96 111.808 -174.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.84 -37.54 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.081 0.467 . . . . 2.21 110.687 -177.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.9 88.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.758 -0.656 . . . . 1.13 110.718 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.422 ' O ' HD22 ' B' ' 33' ' ' LEU . 8.8 tt0 -59.58 -53.74 54.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.638 -0.71 . . . . 1.74 110.109 177.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.93 -33.1 68.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.824 0.345 . . . . 2.36 110.912 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 36.3 m -65.88 -34.08 77.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.879 -0.601 . . . . 1.64 111.398 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.503 ' O ' HG13 ' B' ' 50' ' ' ILE . 27.9 mt -60.99 -49.62 76.68 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.133 0.492 . . . . 1.81 109.768 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.33 -42.67 92.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.164 -0.925 . . . . 1.75 111.305 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.2 t -64.42 -44.1 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.985 -0.376 . . . . 1.23 109.985 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.8 92.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.039 -0.528 . . . . 1.13 110.861 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.503 HG13 ' O ' ' B' ' 46' ' ' LEU . 67.0 mt -53.48 -55.22 14.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.936 -0.574 . . . . 1.36 110.674 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -63.82 -36.77 84.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.84 111.359 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.98 -50.3 66.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.105 -0.498 . . . . 1.01 110.963 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.84 -34.87 74.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.621 0.248 . . . . 1.37 111.215 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.42 -48.8 76.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.275 0.559 . . . . 1.66 109.798 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 16.1 m -73.45 -32.86 64.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.449 -0.796 . . . . 1.75 110.822 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.98 -54.64 40.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.872 -0.603 . . . . 1.47 111.784 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 1.644 ' HE2' ' CE1' ' B' ' 57' ' ' PHE . 87.9 m-85 -90.52 1.19 56.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.015 0.435 . . . . 2.32 111.504 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.76 44.91 91.39 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.788 -0.642 . . . . 2.73 112.764 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.418 HG13 ' HB3' ' B' ' 19' ' ' LYS . 7.6 m -126.6 178.13 4.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.863 0.363 . . . . 1.67 110.87 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' THR . . . . . 0.605 ' OG1' ' HB2' ' B' ' 63' ' ' ASP . 2.8 p -118.81 -171.43 2.09 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.71 -0.677 . . . . 2.84 109.225 171.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.507 HG13 ' NE2' ' B' ' 27' ' ' GLN . 0.2 OUTLIER -39.92 -63.65 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 114.018 1.118 . . . . 2.73 114.018 -169.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' B' ' 63' ' ' ASP . 12.7 pt-20 -147.52 18.09 1.17 Allowed 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.163 -1.38 . . . . 4.0 108.918 -176.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.605 ' HB2' ' OG1' ' B' ' 60' ' ' THR . 13.4 t70 -29.28 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 118.679 -1.209 . . . . 3.62 110.434 -117.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . 0.266 38.2 t -117.34 -45.53 2.72 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 122.884 2.583 . . . . 3.28 114.181 147.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.09 -14.67 61.06 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 112.566 -2.107 . . . . 3.46 111.977 -159.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.461 ' N ' HD21 ' B' ' 66' ' ' LEU . 0.2 OUTLIER -111.6 11.55 21.21 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 120.063 -0.655 . . . . 2.39 110.362 -178.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.574 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . . . -60.76 129.09 39.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.71 -0.677 . . . . 1.89 110.583 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 67.6 mt -121.29 141.77 33.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 119.589 -0.243 . . . . 1.72 110.407 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -48.58 -51.05 11.0 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.972 2.448 . . . . 3.2 113.821 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -115.29 159.2 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.785 -0.45 . . . . 3.24 109.785 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.4 p -74.8 143.42 43.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.226 -0.589 . . . . 1.98 109.488 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.595 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 67.1 mt -75.24 -39.98 3.38 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.4 -0.818 . . . . 2.33 112.989 -173.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.92 -35.93 19.19 Favored 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 122.038 1.825 . . . . 1.23 113.1 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.92 -44.63 80.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.113 0.483 . . . . 2.27 109.82 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.62 -38.88 73.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 115.665 -0.698 . . . . 2.04 109.962 173.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 1.634 ' HE1' ' CE2' ' B' ' 76' ' ' PHE . 14.8 m-30 -66.81 -35.78 80.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.445 -0.798 . . . . 3.08 110.905 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -75.58 -16.92 60.19 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.967 -0.458 . . . . 2.51 110.677 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.98 -55.46 3.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 1.24 111.56 177.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.9 -52.74 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.234 0.54 . . . . 1.47 111.882 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' B' ' 76' ' ' PHE . . . -67.56 -11.69 58.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.356 -0.838 . . . . 1.7 111.813 -172.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.457 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 6.9 t -71.02 -16.66 62.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.071 0.462 . . . . 2.49 110.793 177.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.5 102.95 0.16 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.016 -0.612 . . . . 2.63 111.838 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.342 -0.837 . . . . 4.9 110.064 -178.379 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.8 ttp . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.039 0.447 . . . . 4.05 110.369 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 6.3 m-20 -82.44 103.32 11.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.905 -0.589 . . . . 2.4 110.374 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.48 ' OD1' ' HD2' ' A' ' 18' ' ' LYS . 30.9 p-10 -74.25 -6.25 46.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.689 0.281 . . . . 2.52 110.486 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HD2' ' OD1' ' A' ' 17' ' ' ASN . 11.8 mptt -75.32 -51.75 12.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 2.39 110.742 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HB2' ' CG1' ' A' ' 59' ' ' VAL . 21.0 ptmt -63.76 -39.84 95.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.244 0.545 . . . . 1.98 110.599 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.53 HH11 ' HG ' ' A' ' 68' ' ' LEU . 79.2 mtt180 -62.68 -41.58 99.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.546 -0.752 . . . . 3.0 109.627 177.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.637 HD11 ' CE2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -62.08 -37.72 86.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.723 -0.671 . . . . 1.28 110.114 179.554 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' HB3' ' CD2' ' A' ' 57' ' ' PHE . . . -56.35 -31.03 63.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.312 -0.404 . . . . 1.42 110.815 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CD2' ' HB3' ' A' ' 63' ' ' ASP . 15.7 t80 -62.94 -39.19 93.87 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.013 -0.54 . . . . 3.42 110.409 176.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -55.0 -43.2 73.39 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.178 0.513 . . . . 1.62 111.107 173.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 13.6 mm -63.83 -51.41 69.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.903 -1.044 . . . . 1.54 109.389 -176.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.442 HG12 HG21 ' A' ' 50' ' ' ILE . 81.1 mt -60.55 -51.31 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.159 -0.928 . . . . 1.37 110.909 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -50.54 -59.46 4.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 1.68 112.249 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 1.656 ' HD2' ' CD1' ' A' ' 28' ' ' PHE . 68.5 t80 -78.38 -61.78 1.9 Allowed 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.699 -0.401 . . . . 2.76 111.694 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 7.2 mp -56.91 -24.29 51.19 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.66 0.615 . . . . 1.28 112.66 -172.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -87.78 -38.19 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.126 -0.629 . . . . 1.62 110.856 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.32 -47.91 69.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 1.98 109.938 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.488 HE21 ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.47 -30.87 69.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.986 -1.006 . . . . 1.92 110.642 175.325 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -60.63 -41.71 95.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 1.76 110.233 -178.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -75.06 -22.87 58.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.107 -0.497 . . . . 4.02 110.86 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -85.34 -33.23 22.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.393 . . . . 3.46 111.589 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.559 ' HA2' ' OE1' ' A' ' 43' ' ' GLN . . . 102.37 43.44 2.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.694 -0.765 . . . . 0.58 112.773 177.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.51 -60.48 5.03 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.52 112.678 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.11 176.08 9.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.722 -0.281 . . . . 1.21 110.921 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 t -66.62 167.71 10.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 1.7 111.087 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 6.4 p -54.63 -53.87 49.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.931 0.345 . . . . 1.97 111.931 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.19 -37.85 88.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.044 0.449 . . . . 2.2 110.76 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.553 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -62.68 -40.41 97.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.785 -0.643 . . . . 1.13 110.546 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.559 ' OE1' ' HA2' ' A' ' 36' ' ' GLY . 20.6 mt-30 -52.26 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.697 -0.683 . . . . 1.74 111.187 176.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' HG21 ' A' ' 48' ' ' VAL . 37.4 mm-40 -48.78 -38.53 22.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.307 -0.86 . . . . 2.36 111.633 177.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.2 m -67.56 -39.68 84.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.358 -0.383 . . . . 1.64 111.691 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 42.4 mt -66.68 -35.99 81.46 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.019 -0.363 . . . . 1.81 110.019 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 7.4 tp10 -54.87 -55.51 29.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 1.76 109.975 176.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 44' ' ' GLU . 16.0 t -52.57 -50.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.283 -0.871 . . . . 1.23 110.41 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.525 ' HA ' ' HA ' ' B' ' 49' ' ' ALA . . . -60.74 -50.34 73.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.171 -0.922 . . . . 1.12 111.632 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.489 HD12 ' CB ' ' A' ' 29' ' ' LEU . 61.5 mt -61.82 -42.01 92.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.551 . . . . 1.35 111.65 -176.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 74.3 mm-40 -63.32 -39.63 95.08 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.071 0.463 . . . . 1.84 110.435 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 79.6 m -68.91 -42.54 76.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 1.01 110.573 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 95.3 mt -62.86 -46.45 87.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.616 0.246 . . . . 1.37 111.18 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -55.8 -45.34 78.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 1.65 110.289 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.7 m -74.88 -35.27 62.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.723 -0.671 . . . . 1.75 111.157 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.01 -55.84 22.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.114 0.483 . . . . 1.47 111.241 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' A' ' 57' ' ' PHE . 92.9 m-85 -77.28 -27.37 53.09 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.832 -0.622 . . . . 2.33 110.977 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.07 42.15 45.11 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.866 -0.606 . . . . 2.72 111.634 -176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 19' ' ' LYS . 27.4 m -113.33 153.22 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.923 0.392 . . . . 1.67 111.693 -174.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.9 p -142.35 -168.18 2.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.751 -0.659 . . . . 2.84 110.576 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.442 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 12.4 p -60.72 -11.11 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-O 121.856 0.836 . . . . 2.74 112.117 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 65' ' ' ASP . 20.6 mm-40 -56.87 -23.33 43.69 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.918 -0.489 . . . . 4.01 110.707 176.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.594 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 14.0 t70 -69.22 -26.66 64.92 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.33 -0.395 . . . . 3.62 110.617 178.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -65.33 -32.67 74.44 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.956 -0.387 . . . . 3.27 109.956 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 65.0 m-20 -61.94 -32.62 73.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 3.46 110.736 175.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.476 ' O ' HD21 ' A' ' 68' ' ' LEU . 3.7 pp -110.03 30.12 7.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.407 -0.36 . . . . 2.39 111.059 176.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -30.19 109.78 0.06 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 123.052 1.406 . . . . 1.89 114.352 -165.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.825 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 0.1 OUTLIER -127.15 -143.8 0.0 OUTLIER Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 111.719 -2.491 . . . . 1.72 107.59 -169.811 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.738 ' HD2' ' CD1' ' A' ' 68' ' ' LEU . 11.6 Cg_exo -32.92 24.05 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.883 1 C-N-CA 126.36 4.706 . . . . 3.19 116.208 147.067 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.825 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 1.9 pt20 -57.4 -168.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 124.886 1.275 . . . . 3.24 108.292 159.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.66 114.43 0.7 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 119.233 0.924 . . . . 1.99 111.851 -171.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 70' ' ' GLN . 0.9 OUTLIER -90.72 -30.02 0.34 Allowed Pre-proline 0 C--O 1.181 -2.536 0 CA-C-O 116.592 -1.67 . . . . 2.33 114.939 -177.561 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.636 ' HG2' ' CG ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -30.68 -36.98 0.05 OUTLIER 'Trans proline' 0 CA--C 1.552 1.383 0 C-N-CA 122.923 2.415 . . . . 1.23 116.336 -172.703 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' LEU . 1.3 tm-20 -80.23 -55.85 4.63 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 118.267 0.485 . . . . 2.28 109.968 171.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.566 ' HB ' ' HG ' ' A' ' 72' ' ' LEU . 56.5 mt -44.73 -51.46 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-O 121.625 0.726 . . . . 2.04 110.866 170.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.642 ' CE2' HD11 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -62.88 -44.81 95.12 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 114.727 -1.124 . . . . 3.08 110.526 -177.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 73' ' ' PRO . 11.0 tp10 -53.88 -27.28 29.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.788 0.804 . . . . 2.52 109.606 178.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.61 2.22 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.778 -1.101 . . . . 1.24 111.481 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.07 67.46 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.056 0.455 . . . . 1.47 111.394 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.472 ' HA ' ' HD3' ' B' ' 69' ' ' PRO . . . -69.19 -40.6 77.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.387 -0.824 . . . . 1.7 111.773 -175.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 p -82.37 -31.93 29.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.197 -0.456 . . . . 2.49 111.497 -176.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.26 54.86 4.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 2.64 112.49 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.676 -0.678 . . . . 4.9 109.702 179.137 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 57.2 ttp . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 121.018 0.437 . . . . 4.05 110.389 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 6.7 m-20 -82.78 103.51 12.33 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.915 -0.584 . . . . 2.42 110.251 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.498 ' OD1' ' HD2' ' B' ' 18' ' ' LYS . 31.2 p-10 -74.46 -6.05 46.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.755 0.312 . . . . 2.52 110.532 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.498 ' HD2' ' OD1' ' B' ' 17' ' ' ASN . 11.8 mptt -75.21 -51.86 12.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 2.39 110.735 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.488 ' HB2' ' CG1' ' B' ' 59' ' ' VAL . 21.0 ptmt -63.63 -40.03 95.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.281 0.563 . . . . 1.97 110.591 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.556 HH11 ' HG ' ' B' ' 68' ' ' LEU . 79.0 mtt180 -62.58 -41.65 99.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.507 -0.769 . . . . 3.01 109.638 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.642 HD11 ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -62.07 -37.61 85.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.734 -0.666 . . . . 1.27 110.151 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.405 ' HB3' ' CD2' ' B' ' 57' ' ' PHE . . . -56.4 -30.98 63.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.257 -0.428 . . . . 1.42 110.866 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.582 ' CD2' ' HB3' ' B' ' 63' ' ' ASP . 15.9 t80 -63.04 -39.21 94.06 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.941 -0.572 . . . . 3.41 110.361 176.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' B' ' 69' ' ' PRO . . . -54.93 -43.08 73.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.284 0.564 . . . . 1.62 111.238 173.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 13.4 mm -63.92 -51.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.807 -1.088 . . . . 1.54 109.45 -176.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.434 HG12 HG21 ' B' ' 50' ' ' ILE . 81.2 mt -60.55 -51.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.111 -0.95 . . . . 1.37 110.856 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -50.28 -59.75 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 1.67 112.297 -176.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 1.651 ' HD2' ' CD1' ' B' ' 28' ' ' PHE . 68.3 t80 -78.21 -61.91 1.85 Allowed 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.791 -0.364 . . . . 2.76 111.704 -176.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.527 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 7.2 mp -56.83 -24.46 51.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.75 0.648 . . . . 1.28 112.75 -172.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -87.32 -38.39 16.29 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.179 -0.609 . . . . 1.63 110.872 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -67.25 -48.03 68.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.584 0.707 . . . . 1.98 110.024 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.483 HE21 ' HA ' ' B' ' 29' ' ' LEU . 0.0 OUTLIER -60.43 -30.73 69.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.072 -0.967 . . . . 1.93 110.706 175.32 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -60.7 -41.69 95.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 1.76 110.306 -178.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -75.09 -23.02 57.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 4.03 110.823 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -85.17 -33.13 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.477 -0.329 . . . . 3.47 111.547 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . 0.58 ' HA2' ' OE1' ' B' ' 43' ' ' GLN . . . 102.54 42.67 2.12 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.618 -0.801 . . . . 0.58 112.886 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.1 -60.75 4.99 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 120.774 -0.727 . . . . 0.53 112.65 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.87 176.06 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.584 0.231 . . . . 1.21 110.903 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 32.2 t -66.73 167.99 10.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.335 -0.393 . . . . 1.7 111.247 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 7.7 p -54.82 -53.7 51.81 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.941 0.348 . . . . 1.96 111.941 -175.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -65.33 -37.86 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.091 0.472 . . . . 2.21 110.765 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -62.6 -40.45 96.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 1.13 110.518 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.58 ' OE1' ' HA2' ' B' ' 36' ' ' GLY . 20.7 mt-30 -52.09 -65.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.785 -0.643 . . . . 1.74 111.25 176.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.493 ' O ' HG21 ' B' ' 48' ' ' VAL . 34.8 mm-40 -48.75 -38.5 21.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.167 -0.924 . . . . 2.36 111.622 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -67.43 -39.88 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 1.64 111.645 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 41.7 mt -66.47 -36.18 82.12 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.058 -0.349 . . . . 1.81 110.058 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 7.5 tp10 -54.8 -55.48 29.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.75 109.998 176.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.493 HG21 ' O ' ' B' ' 44' ' ' GLU . 15.9 t -52.64 -50.45 41.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.321 -0.854 . . . . 1.23 110.332 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.525 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . . . -60.58 -50.23 74.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.203 -0.908 . . . . 1.13 111.745 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.488 HD12 ' CB ' ' B' ' 29' ' ' LEU . 61.4 mt -61.88 -42.04 93.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.976 -0.556 . . . . 1.36 111.603 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 74.5 mm-40 -63.28 -39.83 95.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.103 0.478 . . . . 1.84 110.38 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -68.65 -42.54 77.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 1.01 110.667 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 95.4 mt -62.89 -46.47 87.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.645 0.259 . . . . 1.37 111.151 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.94 -45.04 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 1.66 110.376 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.6 m -75.11 -35.19 61.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.692 -0.685 . . . . 1.75 111.189 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.9 21.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 1.47 111.316 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 1.664 ' HE2' ' CE1' ' B' ' 57' ' ' PHE . 91.9 m-85 -77.64 -26.61 50.61 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.972 -0.558 . . . . 2.32 111.059 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.79 42.17 47.09 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.757 -0.656 . . . . 2.73 111.683 -176.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' B' ' 19' ' ' LYS . 28.4 m -113.3 152.76 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.891 0.377 . . . . 1.67 111.727 -174.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 38.8 p -141.9 -169.98 3.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 2.84 110.625 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.442 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 12.8 p -59.12 -11.3 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-O 121.82 0.819 . . . . 2.73 112.263 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 65' ' ' ASP . 21.3 mm-40 -56.92 -23.13 42.82 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.908 -0.495 . . . . 4.0 110.708 176.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.582 ' HB3' ' CD2' ' B' ' 23' ' ' TYR . 14.1 t70 -69.51 -26.66 64.64 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.299 -0.41 . . . . 3.62 110.461 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m -65.51 -32.31 73.84 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.893 0.378 . . . . 3.28 110.007 173.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 65.5 m-20 -62.04 -32.56 73.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.168 -0.469 . . . . 3.46 110.722 175.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.493 ' O ' HD21 ' B' ' 68' ' ' LEU . 3.7 pp -109.23 27.97 8.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.354 -0.385 . . . . 2.39 111.489 176.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -29.44 109.07 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 123.935 1.826 . . . . 1.89 115.019 -165.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.865 ' O ' ' HG2' ' B' ' 70' ' ' GLN . 0.2 OUTLIER -128.31 -156.32 0.03 OUTLIER Pre-proline 0 C--N 1.299 -1.599 0 C-N-CA 130.482 3.513 . . . . 1.72 106.462 -166.12 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . 0.726 ' HD2' ' CD1' ' B' ' 68' ' ' LEU . 13.0 Cg_exo -26.0 20.18 0.0 OUTLIER 'Trans proline' 0 CA--C 1.563 1.944 0 C-N-CA 124.928 3.752 . . . . 3.2 116.531 149.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . 0.865 ' HG2' ' O ' ' B' ' 68' ' ' LEU 0.26 1.9 pt20 -61.64 -168.18 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 106.106 -1.813 . . . . 3.24 106.106 163.263 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' B' ' 24' ' ' ALA 0.287 0.3 OUTLIER -56.93 127.69 33.09 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 122.25 2.296 . . . . 1.98 108.727 -157.802 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.608 HD13 ' O ' ' B' ' 70' ' ' GLN . 1.1 mp -91.64 -34.31 0.35 Allowed Pre-proline 0 C--O 1.181 -2.545 0 CA-C-N 112.834 -1.985 . . . . 2.33 115.398 -176.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.646 ' HG2' ' CG ' ' B' ' 28' ' ' PHE . 0.1 OUTLIER -30.54 -36.12 0.04 OUTLIER 'Trans proline' 0 CA--C 1.55 1.323 0 C-N-CA 123.105 2.537 . . . . 1.23 116.12 -170.368 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 72' ' ' LEU . 1.3 tm-20 -80.76 -55.87 4.53 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 118.211 0.459 . . . . 2.27 109.944 171.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.576 ' HB ' ' HG ' ' B' ' 72' ' ' LEU . 55.5 mt -44.51 -51.76 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-O 121.536 0.684 . . . . 2.04 110.874 169.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.637 ' CE2' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -62.94 -44.62 95.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 114.867 -1.061 . . . . 3.08 110.488 -177.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' B' ' 73' ' ' PRO . 10.7 tp10 -53.96 -27.33 30.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.738 0.78 . . . . 2.51 109.614 178.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.75 -59.51 2.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.759 -1.11 . . . . 1.24 111.502 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.31 -35.07 67.13 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.107 0.479 . . . . 1.47 111.433 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.467 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . . . -69.51 -40.21 77.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.417 -0.811 . . . . 1.7 111.767 -174.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.8 p -82.73 -31.56 28.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 2.49 111.54 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.61 55.28 4.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 2.63 112.435 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.41 -0.805 . . . . 4.9 109.92 179.103 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.799 0.333 . . . . 4.05 110.257 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.75 104.15 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.058 -0.519 . . . . 2.4 110.945 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 26.4 p-10 -73.82 -18.75 60.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.089 0.471 . . . . 2.52 110.349 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -71.21 -23.42 62.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.74 -0.663 . . . . 2.39 112.409 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 15.5 ptmt -87.06 -20.71 26.77 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.901 -0.32 . . . . 1.98 110.576 174.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.39 -40.03 52.03 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.495 -0.928 . . . . 3.0 108.495 172.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.9 -42.59 98.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.618 -1.173 . . . . 1.28 109.418 168.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.717 ' HB3' ' C ' ' A' ' 58' ' ' GLY . . . -59.33 -46.33 88.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.98 -1.009 . . . . 1.42 110.932 175.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.524 ' CE1' ' HA ' ' A' ' 64' ' ' SER . 86.9 t80 -51.88 -41.39 61.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.275 -0.875 . . . . 3.42 110.293 178.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.537 ' CB ' ' HB2' ' A' ' 72' ' ' LEU . . . -55.38 -45.54 76.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.398 -0.819 . . . . 1.62 111.683 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.54 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 46.3 mt -75.49 -44.91 40.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 114.856 -1.065 . . . . 1.54 111.048 -170.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.476 HD11 HG21 ' A' ' 59' ' ' VAL . 7.0 mt -64.69 -46.77 91.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 C-N-CA 120.186 -0.605 . . . . 1.37 110.258 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -60.95 -64.94 0.78 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.908 0.706 . . . . 1.68 112.908 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.592 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 34.5 t80 -58.21 -51.78 68.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.132 0.492 . . . . 2.76 111.172 -174.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 25' ' ' ILE . 11.1 mp -61.0 -29.75 69.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.57 -0.741 . . . . 1.28 111.743 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 25.6 t-80 -72.66 -42.44 64.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.652 0.263 . . . . 1.62 110.539 177.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.18 -44.35 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.895 0.379 . . . . 1.98 110.296 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 -37.07 76.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.993 -0.548 . . . . 1.92 109.994 175.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -60.5 -38.7 85.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.512 -0.767 . . . . 1.76 110.753 -178.424 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -83.25 -12.57 56.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.225 -0.443 . . . . 4.02 110.905 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -97.86 -28.98 13.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.818 0.342 . . . . 3.46 111.557 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.427 ' HA2' ' OE1' ' A' ' 43' ' ' GLN . . . 86.67 43.19 6.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.823 -0.703 . . . . 0.58 111.931 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.74 -46.03 71.06 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.156 -0.545 . . . . 0.52 113.47 -175.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.463 ' HG ' ' HB2' ' B' ' 56' ' ' ALA . 4.4 mm? -89.25 -100.23 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.92 0.341 . . . . 1.21 111.92 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 t -142.3 164.23 30.69 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.254 -0.276 . . . . 1.7 110.254 -176.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 47.3 m -60.58 -57.14 14.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.179 0.437 . . . . 1.97 112.179 -173.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.08 -34.23 77.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 2.2 110.41 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -58.89 -40.1 83.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.616 -0.72 . . . . 1.13 110.769 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 40' ' ' SER . 18.9 mt-30 -53.88 -68.02 0.21 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.572 -0.74 . . . . 1.74 111.36 178.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.97 -34.51 59.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.855 -0.612 . . . . 2.36 111.882 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 70.9 m -66.72 -33.84 76.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.458 0.17 . . . . 1.64 111.458 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.475 ' HB2' HD22 ' A' ' 33' ' ' LEU . 20.2 mt -69.07 -29.03 67.06 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.627 -0.429 . . . . 1.81 110.776 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.19 -39.51 92.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.203 -0.665 . . . . 1.76 109.203 175.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.1 t -65.61 -47.88 84.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.57 -0.741 . . . . 1.23 109.749 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' B' ' 49' ' ' ALA . . . -57.33 -46.6 83.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.267 -0.879 . . . . 1.12 111.419 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.35 -45.44 81.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.836 -0.62 . . . . 1.35 111.676 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -76.69 -37.44 56.13 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.789 -0.364 . . . . 1.84 111.808 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.471 ' HB3' ' O ' ' B' ' 45' ' ' SER . 76.0 m -64.53 -38.65 91.75 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.457 0.646 . . . . 1.01 109.503 174.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.45 -51.58 68.87 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.407 -0.815 . . . . 1.37 109.463 170.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.919 ' HA ' ' O ' ' A' ' 57' ' ' PHE . 5.7 tt0 -57.11 -22.91 43.28 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.857 0.723 . . . . 1.65 110.844 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 m -64.37 -45.57 87.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.159 -0.473 . . . . 1.75 110.338 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.464 ' HB2' ' HG ' ' B' ' 38' ' ' LEU . . . -68.98 -73.07 0.16 Allowed 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.334 -0.987 . . . . 1.47 108.334 170.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.919 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 3.5 p90 -138.6 -49.68 0.54 Allowed 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 108.369 -0.974 . . . . 2.33 108.369 157.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.717 ' C ' ' HB3' ' A' ' 22' ' ' ALA . . . 54.26 -33.83 0.01 OUTLIER Glycine 0 C--O 1.217 -0.913 0 CA-C-N 114.039 -1.437 . . . . 2.72 113.284 -164.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.557 HG21 ' O ' ' A' ' 58' ' ' GLY . 2.7 t -176.85 -162.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 129.82 3.248 . . . . 1.67 103.158 158.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.9 p -135.39 159.42 41.63 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.193 -1.41 . . . . 2.84 107.193 146.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.84 -24.76 35.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.32 0.581 . . . . 2.74 110.949 -172.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.3 -26.26 66.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.698 -0.683 . . . . 4.01 111.494 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.678 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 8.9 t70 -78.54 -33.86 47.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 3.62 109.72 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.524 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 26.6 t -63.59 -24.52 67.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.539 -0.755 . . . . 3.27 109.511 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.45 -35.07 58.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.247 -0.888 . . . . 3.46 111.14 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 4.0 pp -76.14 -48.14 21.71 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.365 -0.534 . . . . 2.39 110.263 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.51 ' N ' HD13 ' A' ' 66' ' ' LEU . . . 49.49 115.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.516 0.932 . . . . 1.89 113.516 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.5 156.27 89.06 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.707 -0.679 . . . . 1.72 110.27 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -43.63 -50.18 7.25 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.181 2.587 . . . . 3.19 112.87 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -118.26 166.73 12.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 3.24 109.712 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.2 p -77.64 141.12 39.63 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.563 0.696 . . . . 1.99 110.168 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.537 ' HB2' ' CB ' ' A' ' 24' ' ' ALA . 3.2 mm? -64.04 -40.41 53.73 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 114.956 -1.02 . . . . 2.33 112.752 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.592 ' CG ' ' HB2' ' A' ' 28' ' ' PHE . 84.5 Cg_exo -45.86 -35.21 13.45 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.186 1.924 . . . . 1.23 113.071 171.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.44 -39.59 74.28 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.199 0.523 . . . . 2.28 110.146 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.0 mt -66.63 -35.34 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.289 0.566 . . . . 2.04 109.763 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.666 ' HE2' ' CE1' ' A' ' 76' ' ' PHE . 14.3 m-30 -73.96 -16.84 61.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.762 -0.653 . . . . 3.08 110.37 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 12.7 tp10 -78.64 -41.27 31.91 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.59 -0.732 . . . . 2.52 109.919 175.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.08 -49.95 7.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.941 -0.572 . . . . 1.24 112.204 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.56 -49.78 6.12 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.293 0.479 . . . . 1.47 112.293 -173.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 76' ' ' PHE . . . -67.52 -5.98 17.66 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.846 0.684 . . . . 1.7 112.846 -172.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -20.47 64.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.82 0.343 . . . . 2.49 111.211 177.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.74 -154.21 10.46 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.331 -0.708 . . . . 2.64 111.331 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.0 tttp . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.475 -0.774 . . . . 4.9 109.791 175.645 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.767 0.317 . . . . 4.05 110.283 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.38 104.04 4.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.148 -0.478 . . . . 2.42 110.939 -178.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 26.7 p-10 -73.8 -18.78 60.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.191 -0.458 . . . . 2.52 110.368 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -71.04 -23.98 62.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.68 -0.691 . . . . 2.39 112.228 -173.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.465 ' HA ' ' HB2' ' B' ' 22' ' ' ALA . 15.6 ptmt -86.48 -20.87 27.44 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.901 -0.32 . . . . 1.97 110.658 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.44 -39.93 52.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.503 -0.925 . . . . 3.01 108.503 172.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.9 -42.59 98.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.554 -1.203 . . . . 1.27 109.374 168.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.63 ' HB3' ' C ' ' B' ' 58' ' ' GLY . . . -59.42 -46.21 89.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.084 -0.962 . . . . 1.42 110.864 175.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.525 ' CE1' ' HA ' ' B' ' 64' ' ' SER . 86.6 t80 -51.73 -41.58 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.243 -0.89 . . . . 3.41 110.301 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.54 ' CB ' ' HB2' ' B' ' 72' ' ' LEU . . . -55.33 -45.54 76.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.433 -0.803 . . . . 1.62 111.69 177.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 46.1 mt -75.46 -45.07 40.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.848 -1.069 . . . . 1.54 111.038 -170.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.497 HD11 HG21 ' B' ' 59' ' ' VAL . 7.0 mt -64.54 -46.82 91.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 C-N-CA 120.317 -0.553 . . . . 1.37 110.266 175.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -60.98 -65.09 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.868 0.692 . . . . 1.67 112.868 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . 0.596 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 34.9 t80 -58.19 -51.61 69.03 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.051 0.453 . . . . 2.76 111.236 -174.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' B' ' 25' ' ' ILE . 11.1 mp -61.02 -29.96 70.02 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.669 -0.696 . . . . 1.28 111.712 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' B' ' 26' ' ' ILE . 25.5 t-80 -72.46 -42.5 64.92 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.718 0.294 . . . . 1.63 110.616 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.21 -44.25 84.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 1.98 110.334 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -37.04 76.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 1.93 110.022 175.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -60.58 -38.86 85.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 1.76 110.693 -178.466 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -83.13 -12.53 56.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.322 -0.399 . . . . 4.03 111.084 -178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -97.9 -28.92 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.725 0.298 . . . . 3.47 111.58 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . 0.431 ' HA2' ' OE1' ' B' ' 43' ' ' GLN . . . 86.93 42.38 6.36 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.724 -0.75 . . . . 0.58 112.123 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.12 -46.46 72.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.131 -0.557 . . . . 0.53 113.293 -175.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.464 ' HG ' ' HB2' ' A' ' 56' ' ' ALA . 4.4 mm? -88.87 -101.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.603 -0.351 . . . . 1.21 111.796 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.9 t -140.24 164.95 28.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.441 -0.207 . . . . 1.7 110.441 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' SER . . . . . 0.568 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 44.6 m -60.96 -57.27 13.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.206 0.447 . . . . 1.96 112.206 -174.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.97 -34.37 78.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.473 . . . . 2.21 110.403 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.469 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -58.56 -40.23 82.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.624 -0.716 . . . . 1.13 110.796 175.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.568 ' HB2' ' O ' ' B' ' 40' ' ' SER . 18.8 mt-30 -54.07 -67.43 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.704 -0.68 . . . . 1.74 111.384 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.51 -34.24 61.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.96 -0.564 . . . . 2.36 111.91 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 70.5 m -66.87 -33.77 76.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.504 0.187 . . . . 1.64 111.504 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 20.4 mt -69.12 -28.9 66.88 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.661 -0.416 . . . . 1.81 110.753 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.3 -39.53 93.29 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.285 -0.635 . . . . 1.75 109.285 175.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.3 t -65.55 -47.98 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.56 -0.745 . . . . 1.23 109.727 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . . . -57.29 -46.58 83.02 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.299 -0.864 . . . . 1.13 111.373 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 46.7 mt -56.28 -45.63 81.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.887 -0.597 . . . . 1.36 111.609 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.68 -37.27 56.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.882 -0.327 . . . . 1.84 111.837 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 45' ' ' SER . 76.6 m -64.63 -38.67 91.8 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.583 0.706 . . . . 1.01 109.483 174.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.45 -51.77 68.1 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.4 -0.818 . . . . 1.37 109.366 170.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.898 ' HA ' ' O ' ' B' ' 57' ' ' PHE . 5.8 tt0 -57.11 -22.85 42.88 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.932 0.77 . . . . 1.66 110.737 -177.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -64.37 -45.26 88.48 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.182 -0.463 . . . . 1.75 110.173 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.463 ' HB2' ' HG ' ' A' ' 38' ' ' LEU . . . -70.76 -70.21 0.32 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.778 -0.823 . . . . 1.47 108.778 171.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . 0.898 ' O ' ' HA ' ' B' ' 54' ' ' GLU . 2.6 p90 -142.29 -39.64 0.36 Allowed 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.964 -0.562 . . . . 2.32 110.202 153.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . 0.63 ' C ' ' HB3' ' B' ' 22' ' ' ALA . . . 34.71 -13.36 0.0 OUTLIER Glycine 0 C--N 1.309 -0.945 0 CA-C-N 112.879 -1.964 . . . . 2.73 115.906 -161.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.626 HG21 ' O ' ' B' ' 58' ' ' GLY . 2.7 t -179.7 -164.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.023 1 C-N-CA 132.506 4.323 . . . . 1.67 102.744 151.217 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.6 p -133.15 160.29 37.67 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.568 -1.253 . . . . 2.84 107.935 142.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.64 -24.96 35.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 118.583 0.629 . . . . 2.73 110.933 -172.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.08 -26.39 66.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.704 -0.68 . . . . 4.0 111.486 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.66 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 9.0 t70 -78.37 -33.82 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.519 0.676 . . . . 3.62 109.739 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.525 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 29.5 t -63.59 -24.66 67.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 3.28 109.351 174.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -76.2 -34.92 59.28 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.222 -0.899 . . . . 3.46 111.085 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 4.0 pp -77.7 -44.83 26.67 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.008 -0.677 . . . . 2.39 110.628 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.502 ' N ' HD13 ' B' ' 66' ' ' LEU . . . 47.2 115.71 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.747 1.018 . . . . 1.89 113.747 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.39 156.36 88.63 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.775 -0.648 . . . . 1.72 110.412 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -44.18 -49.4 8.7 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.034 2.49 . . . . 3.2 112.939 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -118.56 166.78 12.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.65 -0.5 . . . . 3.24 109.65 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.1 p -77.81 144.02 37.42 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.561 0.696 . . . . 1.98 109.707 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.54 ' HB2' ' CB ' ' B' ' 24' ' ' ALA . 3.3 mm? -66.51 -39.97 29.79 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.882 -1.053 . . . . 2.33 112.7 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.596 ' CG ' ' HB2' ' B' ' 28' ' ' PHE . 83.9 Cg_exo -45.79 -35.24 13.24 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.154 1.903 . . . . 1.23 113.081 171.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.55 -39.49 73.94 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.173 0.511 . . . . 2.27 110.072 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.73 -35.3 74.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.376 0.608 . . . . 2.04 109.823 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 1.626 ' HE1' ' CE2' ' B' ' 76' ' ' PHE . 14.3 m-30 -73.78 -17.5 61.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.678 -0.692 . . . . 3.08 110.347 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.44 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 12.3 tp10 -78.1 -41.22 35.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.542 -0.754 . . . . 2.51 110.018 175.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.25 -50.12 7.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.968 -0.56 . . . . 1.24 112.141 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.16 -50.14 6.0 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.395 0.517 . . . . 1.47 112.395 -173.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' B' ' 76' ' ' PHE . . . -65.2 -9.5 23.97 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.949 0.722 . . . . 1.7 112.949 -173.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -19.76 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.706 0.288 . . . . 2.49 111.251 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.87 -154.53 10.81 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.445 -0.662 . . . . 2.63 111.445 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.319 -0.848 . . . . 4.9 109.774 175.447 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 121.085 0.469 . . . . 2.3999999999999999 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.625 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 17.5 p-10 -70.62 -20.28 62.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 2.52 109.518 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.46 -27.25 69.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.333 -0.849 . . . . 1.8999999999999999 111.154 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HE3' ' OD2' ' A' ' 63' ' ' ASP . 18.6 mtmt -66.45 -49.42 66.75 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.544 0.688 . . . . 1.49 109.331 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -62.4 -38.68 90.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.473 -1.239 . . . . 2.3399999999999999 109.725 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.7 tp -53.83 -55.53 25.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.477 -0.783 . . . . 0.69999999999999996 110.337 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -61.33 -52.89 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.735 -0.666 . . . . 0.82999999999999996 111.503 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.609 ' OH ' ' HB2' ' A' ' 64' ' ' SER . 77.5 t80 -67.74 -39.1 84.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.147 0.425 . . . . 2.9900000000000002 112.147 -172.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.08 83.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.089 0.471 . . . . 1.1399999999999999 110.148 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.9 mt -68.66 -39.81 80.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.675 -0.693 . . . . 0.96999999999999997 110.025 173.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 22' ' ' ALA . 41.2 mt -53.42 -47.08 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.209 -0.45 . . . . 0.78000000000000003 111.055 174.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.07 -49.83 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 1.5800000000000001 111.379 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 68.6 t80 -63.74 -44.79 92.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.246 -0.434 . . . . 1.98 110.695 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.574 HD23 HD11 ' A' ' 46' ' ' LEU . 7.5 mp -67.18 -32.32 73.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.69999999999999996 111.034 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.44 -53.98 51.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.539 . . . . 1.4099999999999999 110.767 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.91 -23.43 41.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.936 -0.575 . . . . 1.98 111.187 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.35 -37.81 83.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.073 -0.714 . . . . 1.9199999999999999 109.073 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -47.18 87.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.948 -1.024 . . . . 1.22 109.529 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -64.28 -40.05 95.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.395 -0.82 . . . . 3.4900000000000002 110.767 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -72.75 -22.21 60.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.111 -0.495 . . . . 2.6800000000000002 111.199 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.85 38.79 18.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.091 -0.576 . . . . 0.53000000000000003 112.274 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.31 -48.58 85.45 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.096 -0.574 . . . . 0.52000000000000002 112.562 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 38' ' ' LEU . 2.9 mm? -86.13 -176.22 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.858 0.361 . . . . 0.82999999999999996 110.428 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 m -83.14 173.66 11.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.223 -0.444 . . . . 1.4199999999999999 110.146 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -57.0 -59.69 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.758 0.281 . . . . 1.6299999999999999 111.758 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.55 -36.78 83.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.017 0.436 . . . . 2.2000000000000002 110.411 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -61.89 -48.94 78.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.58 -0.736 . . . . 0.54000000000000004 110.666 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.5 -58.15 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 1.5600000000000001 111.584 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -48.95 -46.95 44.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.392 -0.822 . . . . 2.3599999999999999 111.93 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 t -67.18 -37.2 83.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.455 0.645 . . . . 1.04 110.076 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.574 HD11 HD23 ' A' ' 29' ' ' LEU . 28.6 tp -64.67 -37.87 89.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.358 -0.837 . . . . 1.28 110.888 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.07 -42.47 98.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 1.76 110.036 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.94 -43.2 98.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.766 -0.652 . . . . 0.48999999999999999 109.751 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.38 80.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.744 -0.662 . . . . 0.47999999999999998 111.242 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 46' ' ' LEU . 85.4 mt -54.88 -54.59 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 0.60999999999999999 111.043 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -66.91 -28.23 68.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 1.8400000000000001 111.249 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.5 m -74.64 -42.11 59.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.368 -0.378 . . . . 0.68999999999999995 110.475 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.81 -40.14 94.21 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.734 0.302 . . . . 0.76000000000000001 110.589 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -56.29 -48.02 77.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 1.6499999999999999 110.358 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 m -76.24 -31.03 58.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.699 -0.682 . . . . 1.1599999999999999 111.294 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.554 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -63.44 -59.19 4.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 1.1499999999999999 111.86 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -77.63 -7.39 56.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.032 0.444 . . . . 2.0499999999999998 110.807 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.06 31.87 72.61 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.744 -0.662 . . . . 2.6000000000000001 111.931 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.3 m -94.85 163.03 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.792 0.329 . . . . 1.3500000000000001 110.74 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 p -142.47 -172.04 3.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.907 -0.588 . . . . 2.3799999999999999 110.282 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.7 p -74.78 -6.23 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.842 0.83 . . . . 2.21 110.09 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.22 -25.44 67.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.083 -0.71 . . . . 4.0099999999999998 109.083 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.49 ' OD2' ' HE3' ' A' ' 19' ' ' LYS . 9.1 m-20 -72.89 -10.43 59.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.293 -0.867 . . . . 3.6200000000000001 110.264 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.609 ' HB2' ' OH ' ' A' ' 23' ' ' TYR . 22.6 t -80.56 -33.1 36.41 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.173 -0.677 . . . . 2.9100000000000001 109.173 173.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.71 -35.6 80.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.748 -0.66 . . . . 3.46 110.24 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 pp -104.09 23.7 12.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 1.8700000000000001 110.976 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 64' ' ' SER . . . -61.11 144.63 53.19 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.999 0.428 . . . . 1.53 111.106 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.499 HD12 HD21 ' A' ' 72' ' ' LEU . 90.2 mt -79.41 150.21 73.31 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.876 -0.602 . . . . 1.55 110.16 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -40.04 -51.05 3.26 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.92 3.08 . . . . 2.7400000000000002 113.704 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.88 154.74 26.98 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.106 -0.701 . . . . 2.75 109.106 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.6 p -71.76 140.15 49.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.444 0.64 . . . . 1.55 109.375 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 68' ' ' LEU . 56.4 mt -63.67 -37.7 31.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.031 -0.986 . . . . 1.79 113.544 -172.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.525 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 58.2 Cg_exo -45.09 -37.46 12.92 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.0 1.8 . . . . 1.0700000000000001 113.142 171.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.11 -48.7 79.0 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.163 0.506 . . . . 2.2799999999999998 110.244 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.44 -37.95 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.682 -0.69 . . . . 1.3799999999999999 110.212 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 13.1 m-30 -66.29 -36.46 83.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 2.3599999999999999 110.648 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.631 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 42.8 mt-10 -66.85 -20.56 65.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 2.52 110.955 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.94 -59.77 2.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.349 -0.387 . . . . 0.65000000000000002 111.156 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.07 -40.3 68.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.084 0.772 . . . . 0.98999999999999999 113.084 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -79.46 -30.12 42.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.892 0.377 . . . . 1.5600000000000001 111.196 -175.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -80.72 -29.04 36.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.262 0.553 . . . . 2.3300000000000001 110.638 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.81 98.49 0.49 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.982 -0.628 . . . . 2.5899999999999999 111.923 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.654 -0.688 . . . . 4.4100000000000001 109.893 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 21.2 mmt . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.933 0.397 . . . . 3.6800000000000002 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.34 77.13 9.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.149 0.5 . . . . 2.4199999999999999 110.767 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.631 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 17.3 p-10 -71.2 -20.14 62.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.968 -0.56 . . . . 2.52 109.612 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.53 -27.3 69.17 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.207 -0.906 . . . . 1.8899999999999999 111.163 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.502 ' HE3' ' OD2' ' B' ' 63' ' ' ASP . 18.7 mtmt -66.35 -49.46 66.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 121.673 0.749 . . . . 1.49 109.379 175.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -62.36 -38.6 90.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.492 -1.231 . . . . 2.3399999999999999 109.836 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 28.6 tp -53.87 -55.51 26.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.475 -0.784 . . . . 0.69999999999999996 110.299 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.44 ' O ' HG13 ' B' ' 26' ' ' ILE . . . -61.34 -52.96 62.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.667 -0.697 . . . . 0.82999999999999996 111.432 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.61 ' OH ' ' HB2' ' B' ' 64' ' ' SER . 77.5 t80 -67.72 -39.07 84.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.199 0.444 . . . . 2.9900000000000002 112.199 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.01 82.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 1.1399999999999999 110.179 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 32.4 mt -68.77 -39.87 80.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.55 -0.75 . . . . 0.96999999999999997 109.85 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.44 HG13 ' O ' ' B' ' 22' ' ' ALA . 41.4 mt -53.41 -47.02 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.309 -0.405 . . . . 0.78000000000000003 111.055 174.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.15 -49.66 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 1.5800000000000001 111.491 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.433 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 68.9 t80 -63.96 -44.47 92.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.123 -0.489 . . . . 1.98 110.816 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.59 HD23 HD11 ' B' ' 46' ' ' LEU . 7.5 mp -67.39 -32.4 73.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 0.69999999999999996 110.933 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -56.38 -53.97 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.528 . . . . 1.4099999999999999 110.734 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.87 -23.33 41.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 1.98 111.324 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.56 -37.69 83.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.016 -0.735 . . . . 1.9299999999999999 109.016 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -46.97 88.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.874 -1.057 . . . . 1.22 109.625 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -64.74 -39.66 94.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.281 -0.872 . . . . 3.5 110.696 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -73.24 -21.9 60.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.095 -0.502 . . . . 2.6899999999999999 111.066 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.73 38.58 19.81 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.078 -0.582 . . . . 0.53000000000000003 112.345 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.28 -48.41 86.28 Favored Glycine 0 C--N 1.329 0.161 0 C-N-CA 121.023 -0.608 . . . . 0.53000000000000003 112.554 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.436 HD22 ' N ' ' B' ' 38' ' ' LEU . 2.9 mm? -85.97 -175.91 5.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.756 0.313 . . . . 0.82999999999999996 110.476 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.4 m -83.52 173.66 11.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.323 -0.399 . . . . 1.4199999999999999 110.001 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -57.1 -59.46 5.04 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.815 0.302 . . . . 1.6299999999999999 111.815 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.47 -36.98 84.18 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.983 0.421 . . . . 2.21 110.39 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -61.79 -49.02 78.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.458 -0.792 . . . . 0.54000000000000004 110.629 177.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -55.47 -58.19 8.8 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.892 -0.594 . . . . 1.5700000000000001 111.604 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -48.75 -46.88 41.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.407 -0.815 . . . . 2.3599999999999999 112.045 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -67.29 -37.25 83.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.457 0.646 . . . . 1.04 110.055 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.59 HD11 HD23 ' B' ' 29' ' ' LEU . 28.5 tp -64.57 -37.88 89.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.323 -0.853 . . . . 1.28 110.911 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.2 -42.33 98.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.074 -0.512 . . . . 1.75 110.036 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.07 -43.04 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.828 -0.624 . . . . 0.48999999999999999 109.764 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.68 -44.3 81.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.649 . . . . 0.47999999999999998 111.173 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 46' ' ' LEU . 85.3 mt -54.81 -54.63 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.073 0.464 . . . . 0.62 111.068 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.69 -28.52 68.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.646 -0.706 . . . . 1.8400000000000001 111.246 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.1 m -74.71 -41.93 59.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.336 -0.393 . . . . 0.68999999999999995 110.404 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.75 -40.3 94.63 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.877 0.37 . . . . 0.76000000000000001 110.596 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.17 -48.33 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.691 -0.686 . . . . 1.6599999999999999 110.231 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -75.88 -31.45 59.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.704 -0.68 . . . . 1.1499999999999999 111.189 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.499 ' O ' ' HB1' ' A' ' 42' ' ' ALA . . . -63.16 -59.19 5.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.934 -0.576 . . . . 1.1399999999999999 111.756 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -77.59 -7.53 56.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.039 0.447 . . . . 2.0600000000000001 110.833 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.2 31.88 72.16 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.755 -0.657 . . . . 2.6000000000000001 111.882 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.9 162.42 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.76 0.314 . . . . 1.3500000000000001 110.851 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 31.6 p -141.62 -171.91 3.42 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.93 -0.577 . . . . 2.3799999999999999 110.363 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 p -74.65 -6.25 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.944 0.878 . . . . 2.21 110.339 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.28 -25.4 67.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.1 -0.704 . . . . 4.0 109.1 172.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.502 ' OD2' ' HE3' ' B' ' 19' ' ' LYS . 8.9 m-20 -72.87 -10.49 59.85 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.173 -0.921 . . . . 3.6200000000000001 110.261 175.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.61 ' HB2' ' OH ' ' B' ' 23' ' ' TYR . 22.8 t -80.57 -33.17 36.28 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.115 -0.698 . . . . 2.9199999999999999 109.115 173.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.61 -35.65 80.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.721 -0.672 . . . . 3.46 110.303 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 pp -103.98 23.38 13.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 1.8700000000000001 111.012 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' B' ' 64' ' ' SER . . . -60.82 144.76 51.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 1.54 111.109 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.494 HD12 HD21 ' B' ' 72' ' ' LEU . 89.8 mt -79.58 150.25 72.82 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.87 -0.605 . . . . 1.5600000000000001 110.248 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -40.62 -49.92 4.02 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.96 3.106 . . . . 2.75 113.846 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -114.71 154.77 27.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.02 -0.733 . . . . 2.7599999999999998 109.02 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 36.7 p -71.84 143.63 49.38 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.878 -0.786 . . . . 1.55 108.878 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.494 HD21 HD12 ' B' ' 68' ' ' LEU . 56.4 mt -66.57 -37.35 14.97 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.104 -0.953 . . . . 1.79 113.292 -171.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.525 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 60.6 Cg_exo -45.01 -37.43 12.5 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.064 1.843 . . . . 1.0600000000000001 113.206 171.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.21 -48.72 78.74 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.105 0.479 . . . . 2.27 110.231 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.4 -38.05 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.63 -0.714 . . . . 1.3700000000000001 110.189 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 13.2 m-30 -66.17 -36.59 83.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.018 -0.537 . . . . 2.3700000000000001 110.559 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.625 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 43.1 mt-10 -66.65 -21.86 66.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 2.5099999999999998 110.866 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.81 -60.5 1.94 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.036 0.446 . . . . 0.64000000000000001 111.406 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.93 -40.21 68.9 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.12 0.785 . . . . 0.98999999999999999 113.12 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -79.43 -30.25 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.822 0.344 . . . . 1.55 111.211 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -80.73 -28.72 36.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.154 0.502 . . . . 2.3300000000000001 110.659 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.97 98.52 0.48 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.885 -0.674 . . . . 2.5899999999999999 111.951 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.658 -0.687 . . . . 4.4000000000000004 109.853 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 51.9 m-20 . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 121.034 0.445 . . . . 2.3999999999999999 110.95 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.559 ' CG ' ' HA ' ' B' ' 81' ' ' THR . 8.2 t30 -78.13 -4.49 47.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.53 0.681 . . . . 2.52 109.672 177.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 22.6 mmtp -57.18 -28.53 62.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.007 -0.997 . . . . 1.8999999999999999 111.073 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 16' ' ' ASP . 4.3 ptpp? -64.12 -47.18 80.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.429 . . . . 1.49 111.205 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.464 ' HD2' ' OD1' ' A' ' 17' ' ' ASN . 89.1 mtt180 -65.26 -29.84 70.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.3 0.571 . . . . 2.3399999999999999 109.755 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.525 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 21.7 tp -59.01 -55.81 30.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.189 -0.914 . . . . 0.69999999999999996 110.235 174.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -44.05 97.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.82999999999999996 111.122 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.75 -51.72 59.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.767 -0.651 . . . . 2.9900000000000002 111.356 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.606 ' HB1' ' HD3' ' A' ' 73' ' ' PRO . . . -65.33 -34.25 77.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.115 -0.493 . . . . 1.1399999999999999 111.377 -177.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 21' ' ' LEU . 79.0 mt -63.37 -46.97 94.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.572 -0.74 . . . . 0.96999999999999997 109.679 175.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -53.22 -46.25 56.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 0.78000000000000003 110.52 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -62.91 -53.69 50.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.315 -0.857 . . . . 1.5800000000000001 112.181 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.552 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 74.5 t80 -67.58 -48.52 66.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.808 0.337 . . . . 1.98 111.039 -176.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.3 mp -59.42 -33.56 71.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 0.69999999999999996 111.041 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -55.3 -58.14 8.94 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.031 0.443 . . . . 1.4099999999999999 110.902 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -40.25 70.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 1.98 111.235 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -59.12 -38.24 79.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.301 0.572 . . . . 1.9199999999999999 110.438 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.665 HD21 ' O ' ' A' ' 43' ' ' GLN . 1.3 tm? -64.68 -44.31 90.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.396 -0.82 . . . . 1.22 110.214 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -81.12 -2.46 48.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.865 -0.607 . . . . 3.4900000000000002 110.935 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -98.71 -5.72 30.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 2.6800000000000002 110.256 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.74 37.92 61.17 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.98 -0.629 . . . . 0.53000000000000003 112.166 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.11 -55.05 32.73 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.083 -0.58 . . . . 0.52000000000000002 112.827 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.481 HD23 HD11 ' A' ' 46' ' ' LEU . 3.0 mm? -92.5 -177.66 4.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.926 -0.161 . . . . 0.82999999999999996 110.653 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -73.45 -179.75 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.69 -0.232 . . . . 1.4199999999999999 110.906 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 t -64.87 -53.64 43.52 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.382 -0.198 . . . . 1.6299999999999999 111.398 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.83 -42.99 94.76 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.174 0.512 . . . . 2.2000000000000002 110.155 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.623 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -66.58 -34.59 78.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.104 -0.953 . . . . 0.54000000000000004 110.939 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.665 ' O ' HD21 ' A' ' 33' ' ' LEU . 52.5 tt0 -58.44 -51.5 69.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 1.5600000000000001 110.508 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.39 -32.15 69.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.816 -0.629 . . . . 2.3599999999999999 110.585 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -73.82 -35.68 64.88 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.649 -0.705 . . . . 1.04 111.452 -175.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.65 HD12 HD23 ' A' ' 33' ' ' LEU . 16.9 mt -61.58 -45.71 92.97 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 120.814 -0.354 . . . . 1.28 110.059 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.3 -46.69 69.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.526 -0.761 . . . . 1.76 110.587 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.09 -44.21 88.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.48999999999999999 110.265 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.84 -38.63 79.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.964 -0.562 . . . . 0.47999999999999998 111.547 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 46' ' ' LEU . 86.0 mt -56.85 -55.71 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.725 0.298 . . . . 0.60999999999999999 110.737 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -61.95 -35.01 77.17 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.305 -0.407 . . . . 1.8400000000000001 111.504 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.8 m -65.5 -49.25 69.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.566 -0.288 . . . . 0.68999999999999995 110.903 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.25 -41.18 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.67 0.271 . . . . 0.76000000000000001 110.807 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -56.47 -52.85 63.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.038 -0.528 . . . . 1.6499999999999999 110.631 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 m -68.22 -31.99 71.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.697 -0.683 . . . . 1.1599999999999999 111.308 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.653 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -73.9 -43.45 58.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.084 -0.507 . . . . 1.1499999999999999 112.158 -175.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -82.84 -20.29 35.92 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.995 0.426 . . . . 2.0499999999999998 110.82 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.61 32.77 40.49 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.759 -0.655 . . . . 2.6000000000000001 111.836 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.96 158.36 8.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.723 0.297 . . . . 1.3500000000000001 111.269 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 p -141.52 -170.45 3.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.944 -0.571 . . . . 2.3799999999999999 110.017 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.3 p -63.18 -15.2 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.347 0.594 . . . . 2.21 110.934 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -63.07 -23.73 67.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.186 0.517 . . . . 4.0099999999999998 110.198 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -71.54 -23.56 61.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.432 0.634 . . . . 3.6200000000000001 109.385 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 t -71.93 -26.55 62.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.639 -0.71 . . . . 2.9100000000000001 109.806 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.6 -41.06 93.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 3.46 110.038 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 pp -95.77 25.71 4.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.908 -0.587 . . . . 1.8700000000000001 111.129 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.23 159.67 14.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.278 0.561 . . . . 1.53 111.76 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.536 HD12 HD21 ' A' ' 72' ' ' LEU . 93.0 mt -86.43 158.49 54.6 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.623 -0.717 . . . . 1.55 110.669 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -43.15 -49.79 6.92 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.197 2.598 . . . . 2.7400000000000002 113.107 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -112.18 172.84 6.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.206 -0.452 . . . . 2.75 109.793 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.1 p -81.64 143.25 32.05 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.266 0.555 . . . . 1.55 110.068 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.56 HD23 ' HB2' ' A' ' 24' ' ' ALA . 3.5 mm? -69.07 -42.89 23.76 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.603 -0.726 . . . . 1.79 111.787 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.606 ' HD3' ' HB1' ' A' ' 24' ' ' ALA . 91.6 Cg_exo -42.53 -42.18 8.14 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.54 2.16 . . . . 1.0700000000000001 112.709 170.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.4 -43.72 93.53 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.25 -0.432 . . . . 2.2799999999999998 110.684 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.482 HD12 HD13 ' A' ' 72' ' ' LEU . 44.7 mt -63.5 -35.52 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.201 0.524 . . . . 1.3799999999999999 110.059 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.566 ' HA ' ' HB3' ' A' ' 80' ' ' ALA . 19.3 m-30 -66.99 -27.06 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.694 -0.685 . . . . 2.3599999999999999 111.056 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 46.2 mt-10 -84.21 -27.94 27.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.842 0.353 . . . . 2.52 110.727 178.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.433 ' O ' HG22 ' A' ' 81' ' ' THR . . . -89.58 -62.01 1.57 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.274 -0.421 . . . . 0.65000000000000002 111.995 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.99 -44.9 11.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.877 0.37 . . . . 0.98999999999999999 111.36 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 76' ' ' PHE . . . -72.25 -4.77 31.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.209 -0.451 . . . . 1.5600000000000001 112.104 -175.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.587 ' HA ' ' CG ' ' B' ' 17' ' ' ASN . 6.4 t -76.23 -13.88 60.16 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.509 -0.476 . . . . 2.3300000000000001 110.357 176.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.1 -87.21 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.909 -0.662 . . . . 2.5899999999999999 111.928 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.172 -0.677 . . . . 4.4100000000000001 109.172 179.327 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.295 -0.261 . . . . 3.6800000000000002 110.295 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 53.5 m-20 -114.34 77.99 1.11 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.954 0.407 . . . . 2.4199999999999999 110.932 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.587 ' CG ' ' HA ' ' A' ' 81' ' ' THR . 8.1 t30 -77.5 -5.41 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.613 0.72 . . . . 2.52 109.723 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 22.4 mmtp -56.42 -28.71 60.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.962 -1.017 . . . . 1.8899999999999999 111.167 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' B' ' 16' ' ' ASP . 4.3 ptpp? -64.07 -47.19 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 1.49 111.259 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.463 ' HD2' ' OD1' ' B' ' 17' ' ' ASN . 89.1 mtt180 -65.1 -30.0 70.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.398 0.618 . . . . 2.3399999999999999 109.814 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.522 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 21.9 tp -58.85 -56.03 27.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.14 -0.936 . . . . 0.69999999999999996 110.213 174.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.1 97.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.82999999999999996 111.138 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.8 -51.61 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.745 -0.662 . . . . 2.9900000000000002 111.364 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.608 ' HB1' ' HD3' ' B' ' 73' ' ' PRO . . . -65.34 -34.33 78.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.161 0.505 . . . . 1.1399999999999999 111.341 -177.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 21' ' ' LEU . 79.2 mt -63.47 -46.82 94.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.462 -0.79 . . . . 0.96999999999999997 109.687 175.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.25 -46.28 56.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.963 -0.562 . . . . 0.78000000000000003 110.487 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -63.01 -53.6 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.321 -0.854 . . . . 1.5800000000000001 112.19 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.551 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 74.6 t80 -67.59 -48.56 66.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.73 0.3 . . . . 1.98 111.025 -176.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.613 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.4 mp -59.28 -33.59 71.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 0.69999999999999996 111.116 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -55.27 -58.27 8.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 1.4099999999999999 110.913 176.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.12 -40.38 71.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 1.98 111.26 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -59.21 -38.14 79.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.253 0.549 . . . . 1.9299999999999999 110.305 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.677 HD21 ' O ' ' B' ' 43' ' ' GLN . 1.3 tm? -64.76 -44.07 91.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.533 -0.758 . . . . 1.22 110.271 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -81.09 -2.88 50.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.927 -0.579 . . . . 3.5 111.076 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -98.41 -5.79 31.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 2.6899999999999999 110.4 174.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.77 37.78 61.11 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.79 -0.641 . . . . 0.53000000000000003 112.185 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.94 -54.9 33.78 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.207 -0.52 . . . . 0.53000000000000003 112.844 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.487 HD23 HD11 ' B' ' 46' ' ' LEU . 3.0 mm? -92.65 -177.49 4.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.471 0.177 . . . . 0.82999999999999996 110.607 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -73.61 -179.77 3.72 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.658 -0.246 . . . . 1.4199999999999999 110.941 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.7 t -64.79 -53.71 42.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.541 0.21 . . . . 1.6299999999999999 111.35 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.83 -42.83 94.43 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.423 0.63 . . . . 2.21 110.151 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.653 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -66.65 -34.58 78.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.031 -0.986 . . . . 0.54000000000000004 111.027 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.677 ' O ' HD21 ' B' ' 33' ' ' LEU . 52.4 tt0 -58.65 -51.32 70.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.503 -0.771 . . . . 1.5700000000000001 110.495 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.43 -32.19 69.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.89 -0.595 . . . . 2.3599999999999999 110.646 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.1 t -73.74 -35.59 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.632 -0.713 . . . . 1.04 111.506 -175.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.664 HD12 HD23 ' B' ' 33' ' ' LEU . 16.7 mt -61.7 -45.73 92.72 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.802 -0.359 . . . . 1.28 110.087 176.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.32 -46.59 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.455 -0.793 . . . . 1.75 110.616 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.07 -44.31 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.054 -0.521 . . . . 0.48999999999999999 110.302 177.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.61 78.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.915 -0.584 . . . . 0.47999999999999998 111.601 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 46' ' ' LEU . 86.3 mt -56.79 -55.54 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.746 0.308 . . . . 0.62 110.789 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -62.02 -35.21 77.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 1.8400000000000001 111.454 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.0 m -65.31 -49.26 70.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.489 -0.323 . . . . 0.68999999999999995 110.912 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.24 -41.23 99.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.626 0.25 . . . . 0.76000000000000001 110.835 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -56.46 -52.93 62.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.024 -0.534 . . . . 1.6599999999999999 110.608 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -68.11 -32.11 72.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.744 -0.662 . . . . 1.1499999999999999 111.248 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.623 ' O ' ' HB1' ' A' ' 42' ' ' ALA . . . -73.79 -43.41 58.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.175 -0.466 . . . . 1.1399999999999999 112.249 -175.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -82.89 -20.18 35.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.077 0.465 . . . . 2.0600000000000001 110.756 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.38 33.03 40.7 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.638 -0.71 . . . . 2.6000000000000001 111.803 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.07 158.11 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.764 0.316 . . . . 1.3500000000000001 111.251 -175.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -141.39 -171.1 3.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.843 -0.617 . . . . 2.3799999999999999 110.058 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.7 p -62.64 -15.16 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.263 0.554 . . . . 2.21 111.004 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.16 -23.62 67.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.193 0.52 . . . . 4.0 110.325 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -71.5 -23.79 61.86 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.231 -0.655 . . . . 3.6200000000000001 109.231 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 9.8 t -71.61 -26.94 62.79 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.752 -0.658 . . . . 2.9199999999999999 109.739 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.1 -41.35 95.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.971 -0.559 . . . . 3.46 110.028 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -95.65 25.65 4.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 1.8700000000000001 111.093 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 159.58 14.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.324 0.583 . . . . 1.54 111.761 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.511 HD12 HD21 ' B' ' 72' ' ' LEU . 92.8 mt -86.35 158.29 55.06 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.585 -0.734 . . . . 1.5600000000000001 110.718 -178.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -43.13 -49.38 7.2 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.205 2.603 . . . . 2.75 113.303 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -112.35 173.01 6.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 2.7599999999999998 109.799 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 33.0 p -81.73 145.11 30.67 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.31 0.576 . . . . 1.55 109.843 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' B' ' 24' ' ' ALA . 3.5 mm? -70.55 -42.88 15.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.624 -0.716 . . . . 1.79 111.655 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.608 ' HD3' ' HB1' ' B' ' 24' ' ' ALA . 91.1 Cg_exo -42.6 -41.97 8.25 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.473 2.115 . . . . 1.0600000000000001 112.706 170.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.51 -43.79 92.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 2.27 110.663 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.503 HD12 HD13 ' B' ' 72' ' ' LEU . 44.9 mt -63.38 -35.76 73.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.192 0.52 . . . . 1.3700000000000001 110.021 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.58 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 19.3 m-30 -66.76 -27.5 67.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.642 -0.708 . . . . 2.3700000000000001 110.987 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.2 mt-10 -83.36 -29.13 28.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.958 0.409 . . . . 2.5099999999999998 110.8 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.431 ' O ' HG22 ' B' ' 81' ' ' THR . . . -88.05 -62.48 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.25 0.463 . . . . 0.64000000000000001 112.25 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.97 -45.27 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.916 0.388 . . . . 0.98999999999999999 111.391 -174.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.58 ' HB3' ' HA ' ' B' ' 76' ' ' PHE . . . -69.7 -9.46 54.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.011 -0.541 . . . . 1.55 112.193 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.559 ' HA ' ' CG ' ' A' ' 17' ' ' ASN . 6.0 t -73.23 -13.92 61.24 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.542 -0.463 . . . . 2.3300000000000001 110.667 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.26 -87.12 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.798 -0.715 . . . . 2.5899999999999999 112.059 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.094 -0.706 . . . . 4.4000000000000004 109.094 179.325 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.855 0.36 . . . . 2.3999999999999999 110.601 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.15 -24.93 54.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.298 -0.41 . . . . 2.52 110.078 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -51.32 -46.67 62.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.833 -0.621 . . . . 1.8999999999999999 111.645 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HB2' HG12 ' A' ' 59' ' ' VAL . 13.3 ptmm? -71.09 -42.49 69.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.434 . . . . 1.49 111.453 -176.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.79 -33.94 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.098 0.475 . . . . 2.3399999999999999 110.615 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.1 tp -58.16 -50.35 73.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.605 -0.725 . . . . 0.69999999999999996 110.492 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.492 ' HB2' ' CD1' ' A' ' 57' ' ' PHE . . . -61.31 -49.86 75.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.82999999999999996 110.837 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 22.1 t80 -55.36 -48.15 74.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.815 -0.629 . . . . 2.9900000000000002 111.622 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.687 ' HB2' HD23 ' A' ' 72' ' ' LEU . . . -58.9 -42.84 90.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.056 -0.52 . . . . 1.1399999999999999 111.294 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.0 mt -69.32 -36.48 72.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.55 -0.75 . . . . 0.96999999999999997 110.311 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 22' ' ' ALA . 52.0 mt -57.18 -49.64 79.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 0.78000000000000003 110.928 174.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.497 ' O ' ' HB3' ' A' ' 30' ' ' HIS . 85.2 mm-40 -71.33 -37.65 71.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 1.5800000000000001 111.769 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.422 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 65.2 t80 -70.13 -48.27 58.19 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.697 -0.401 . . . . 1.98 110.547 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.5 mp -66.56 -23.92 66.28 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.299 -0.41 . . . . 0.69999999999999996 110.559 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.497 ' HB3' ' O ' ' A' ' 27' ' ' GLN . 29.8 t-80 -57.6 -55.38 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.263 0.554 . . . . 1.4099999999999999 110.72 173.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.15 -39.32 49.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.829 -0.623 . . . . 1.98 110.977 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -59.75 -30.5 68.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 1.9199999999999999 110.385 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.687 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -64.0 -50.44 68.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 1.22 109.868 177.567 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -71.68 -25.33 62.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.72 . . . . 3.4900000000000002 111.215 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -85.13 -10.93 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.738 0.304 . . . . 2.6800000000000002 111.499 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.14 43.53 63.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.958 -0.639 . . . . 0.53000000000000003 111.961 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.43 -45.55 92.84 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.426 -0.416 . . . . 0.52000000000000002 113.542 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.77 -106.13 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.934 0.367 . . . . 0.82999999999999996 111.57 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.596 ' H ' ' HB3' ' A' ' 42' ' ' ALA . 22.7 t -141.71 -177.12 5.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.669 -0.242 . . . . 1.4199999999999999 110.363 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.5 t -65.63 -55.91 15.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.653 0.264 . . . . 1.6299999999999999 111.061 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.04 -27.09 68.87 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.207 0.527 . . . . 2.2000000000000002 110.53 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.596 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -72.67 -35.22 67.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.723 -0.672 . . . . 0.54000000000000004 110.824 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.499 ' O ' HD21 ' A' ' 33' ' ' LEU . 41.4 mt-30 -57.97 -62.38 1.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.995 -0.548 . . . . 1.5600000000000001 111.427 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.37 -34.78 58.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.938 -0.573 . . . . 2.3599999999999999 111.271 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.2 m -67.46 -39.16 85.3 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.655 -0.248 . . . . 1.04 111.145 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.636 ' HB2' HD23 ' A' ' 33' ' ' LEU . 36.3 mt -61.71 -48.51 80.43 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 110.075 -0.343 . . . . 1.28 110.075 177.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.16 -44.52 83.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 1.76 110.851 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.69 -45.11 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.374 -0.375 . . . . 0.48999999999999999 110.45 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.56 92.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.47999999999999998 111.37 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 46' ' ' LEU . 87.5 mt -55.92 -48.6 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.402 . . . . 0.60999999999999999 110.448 177.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -67.89 -37.68 82.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.018 -0.537 . . . . 1.8400000000000001 110.882 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.0 m -64.52 -47.73 77.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.398 . . . . 0.68999999999999995 110.89 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.8 -31.45 72.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.605 -0.27 . . . . 0.76000000000000001 110.716 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.68 -55.07 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 1.6499999999999999 110.218 176.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.2 m -69.79 -30.16 67.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.456 . . . . 1.1599999999999999 111.012 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.05 -61.76 2.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 1.1499999999999999 111.74 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 22' ' ' ALA . 92.3 m-85 -79.97 -12.0 59.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.124 0.487 . . . . 2.0499999999999998 110.883 -178.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.74 38.71 49.78 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.533 -0.758 . . . . 2.6000000000000001 111.401 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.417 HG12 ' HB2' ' A' ' 19' ' ' LYS . 26.8 m -101.23 155.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.922 0.391 . . . . 1.3500000000000001 111.456 -174.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.1 p -141.21 -170.81 3.14 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.637 -0.71 . . . . 2.3799999999999999 109.745 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.83 -9.28 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.49 0.662 . . . . 2.21 110.673 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.18 -28.32 69.58 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.27 0.557 . . . . 4.0099999999999998 110.025 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -69.39 -23.1 63.68 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 115.686 -0.688 . . . . 3.6200000000000001 109.497 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 8.5 t -70.89 -31.87 68.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.89 -0.596 . . . . 2.9100000000000001 109.986 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -68.39 -28.99 67.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.501 . . . . 3.46 110.852 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 pp -106.07 23.22 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.336 -0.393 . . . . 1.8700000000000001 110.933 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.68 145.06 55.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 1.53 112.127 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.437 HD12 HD21 ' A' ' 72' ' ' LEU . 94.1 mt -72.48 155.39 91.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.256 -0.884 . . . . 1.55 109.784 175.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -45.27 -48.1 11.86 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.813 3.009 . . . . 2.7400000000000002 113.676 -173.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -120.49 169.44 10.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.658 -0.246 . . . . 2.75 110.412 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -69.56 140.13 53.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.263 0.554 . . . . 1.55 110.094 174.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.687 HD23 ' HB2' ' A' ' 24' ' ' ALA . 3.5 mm? -80.33 -35.38 0.88 Allowed Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.024 1.12 . . . . 1.79 114.024 -172.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 83.8 Cg_exo -48.33 -35.52 27.78 Favored 'Trans proline' 0 C--N 1.355 0.897 0 CA-C-N 121.068 1.417 . . . . 1.0700000000000001 112.652 172.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.37 -43.94 80.18 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.975 0.417 . . . . 2.2799999999999998 110.174 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.28 -40.55 78.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.864 -0.607 . . . . 1.3799999999999999 110.159 173.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 73' ' ' PRO . 14.2 m-30 -61.9 -43.11 99.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.804 -0.634 . . . . 2.3599999999999999 110.454 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 47.5 mt-10 -61.44 -26.96 68.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.94 0.4 . . . . 2.52 111.071 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.78 -49.03 7.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.65000000000000002 111.818 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.55 -45.14 12.89 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.542 0.571 . . . . 0.98999999999999999 112.542 -172.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -65.44 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.323 -0.399 . . . . 1.5600000000000001 111.813 -171.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 t -85.95 5.14 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.906 0.384 . . . . 2.3300000000000001 110.656 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.22 -22.3 63.28 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.893 -0.67 . . . . 2.5899999999999999 112.249 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 119.108 -0.472 . . . . 4.4100000000000001 110.236 179.839 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.41 ' N ' ' SD ' ' B' ' 15' ' ' MET . 1.7 mpt? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.937 -0.394 . . . . 3.6800000000000002 109.937 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.84 114.86 18.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.305 -0.407 . . . . 2.4199999999999999 110.654 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -76.59 -24.74 53.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.302 -0.408 . . . . 2.52 109.976 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -51.31 -46.67 62.62 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.758 -0.655 . . . . 1.8899999999999999 111.551 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.421 ' HB2' HG12 ' B' ' 59' ' ' VAL . 13.2 ptmm? -71.25 -42.36 68.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 1.49 111.438 -176.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.88 -33.87 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.057 0.456 . . . . 2.3399999999999999 110.577 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 17.9 tp -58.22 -50.24 74.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.632 -0.713 . . . . 0.69999999999999996 110.393 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.489 ' HB2' ' CD1' ' B' ' 57' ' ' PHE . . . -61.45 -49.76 75.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.959 -0.564 . . . . 0.82999999999999996 110.75 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 21.7 t80 -55.48 -48.09 75.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.875 -0.602 . . . . 2.9900000000000002 111.562 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.68 ' HB2' HD23 ' B' ' 72' ' ' LEU . . . -58.95 -42.81 90.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.196 0.522 . . . . 1.1399999999999999 111.295 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.41 -36.46 71.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.488 -0.778 . . . . 0.96999999999999997 110.317 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.445 HG13 ' O ' ' B' ' 22' ' ' ALA . 51.4 mt -57.2 -49.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 0.78000000000000003 110.934 174.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.496 ' O ' ' HB3' ' B' ' 30' ' ' HIS . 85.5 mm-40 -71.38 -37.7 71.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.404 -0.362 . . . . 1.5800000000000001 111.791 -176.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.425 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 65.5 t80 -70.1 -48.32 58.12 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.776 -0.37 . . . . 1.98 110.511 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.659 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.5 mp -66.57 -23.75 66.25 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.344 -0.389 . . . . 0.69999999999999996 110.601 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' B' ' 27' ' ' GLN . 30.2 t-80 -57.77 -55.36 35.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.227 0.537 . . . . 1.4099999999999999 110.697 173.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.05 -39.41 50.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.875 -0.602 . . . . 1.98 110.838 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -59.74 -30.49 68.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.173 0.511 . . . . 1.9299999999999999 110.505 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.659 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 1.0 OUTLIER -63.93 -50.59 68.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.741 -0.663 . . . . 1.22 109.869 177.458 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -71.48 -25.36 62.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.552 -0.749 . . . . 3.5 111.187 -177.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -85.1 -11.21 55.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.712 0.291 . . . . 2.6899999999999999 111.441 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.77 42.56 61.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.946 -0.645 . . . . 0.53000000000000003 112.005 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.01 -45.31 92.49 Favored Glycine 0 C--N 1.329 0.182 0 C-N-CA 121.426 -0.416 . . . . 0.53000000000000003 113.552 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.74 -107.12 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.857 0.328 . . . . 0.82999999999999996 111.529 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.586 ' H ' ' HB3' ' B' ' 42' ' ' ALA . 22.2 t -140.17 -176.77 4.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.644 -0.253 . . . . 1.4199999999999999 110.57 -177.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.7 t -65.84 -55.76 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.685 0.279 . . . . 1.6299999999999999 111.021 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.11 -27.16 68.9 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.226 0.536 . . . . 2.21 110.543 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.586 ' HB3' ' H ' ' B' ' 39' ' ' SER . . . -72.56 -35.19 67.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.712 -0.676 . . . . 0.54000000000000004 110.832 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.501 ' O ' HD21 ' B' ' 33' ' ' LEU . 41.5 mt-30 -58.14 -62.32 1.91 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.028 -0.533 . . . . 1.5700000000000001 111.418 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -53.28 -34.85 58.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.065 -0.516 . . . . 2.3599999999999999 111.357 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.6 m -67.19 -39.31 86.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.626 -0.261 . . . . 1.04 111.186 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.631 ' HB2' HD23 ' B' ' 33' ' ' LEU . 35.6 mt -61.74 -48.44 80.69 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 110.098 -0.334 . . . . 1.28 110.098 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.15 -44.64 83.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 1.75 110.947 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 81.5 t -66.66 -45.07 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.48999999999999999 110.45 177.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.58 92.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.302 -0.408 . . . . 0.47999999999999998 111.405 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 46' ' ' LEU . 88.0 mt -55.82 -48.61 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.62 110.517 177.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -67.81 -37.8 82.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 1.8400000000000001 110.834 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.4 m -64.67 -47.48 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.68999999999999995 110.922 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.97 -31.39 71.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.709 0.29 . . . . 0.76000000000000001 110.679 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -58.76 -55.05 40.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 1.6599999999999999 110.307 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.8 m -69.82 -30.11 67.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 1.1499999999999999 110.926 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.41 ' HB1' HD21 ' A' ' 46' ' ' LEU . . . -60.0 -61.87 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 1.1399999999999999 111.774 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' B' ' 22' ' ' ALA . 92.5 m-85 -80.05 -11.58 59.76 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.021 0.439 . . . . 2.0600000000000001 110.851 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.49 38.81 51.65 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.62 -0.718 . . . . 2.6000000000000001 111.386 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' B' ' 19' ' ' LYS . 27.1 m -101.49 155.79 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.093 0.473 . . . . 1.3500000000000001 111.404 -174.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.2 p -141.25 -171.51 3.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.417 -0.811 . . . . 2.3799999999999999 109.802 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.9 p -68.2 -9.27 10.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.524 0.678 . . . . 2.21 110.786 176.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.18 -28.28 69.56 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.302 0.572 . . . . 4.0 110.045 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.59 -22.98 63.47 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.631 -0.713 . . . . 3.6200000000000001 109.439 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.423 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 8.6 t -70.87 -32.15 69.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.873 -0.603 . . . . 2.9199999999999999 109.997 178.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -68.02 -29.11 68.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 3.46 110.822 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 pp -106.02 23.21 14.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.967 0.413 . . . . 1.8700000000000001 110.886 176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.57 144.89 55.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.856 -0.611 . . . . 1.54 112.226 -175.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.435 HD12 HD21 ' B' ' 72' ' ' LEU . 93.6 mt -72.3 155.26 91.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.204 -0.907 . . . . 1.5600000000000001 109.833 175.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -45.24 -47.83 12.13 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.832 3.021 . . . . 2.75 113.822 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -120.76 169.52 10.33 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.383 -0.228 . . . . 2.7599999999999998 110.383 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.1 p -69.93 143.56 52.67 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.3 0.572 . . . . 1.55 109.576 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.68 HD23 ' HB2' ' B' ' 24' ' ' ALA . 3.5 mm? -82.68 -35.5 0.68 Allowed Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 113.82 1.044 . . . . 1.79 113.82 -172.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.494 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 81.0 Cg_exo -48.31 -35.35 27.2 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.401 1.401 . . . . 1.0600000000000001 112.625 172.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.58 -43.9 79.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.874 0.368 . . . . 2.27 110.135 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mm -58.28 -40.52 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 115.948 -0.569 . . . . 1.3700000000000001 110.218 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' B' ' 73' ' ' PRO . 14.3 m-30 -61.97 -43.03 99.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.806 -0.634 . . . . 2.3700000000000001 110.427 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 47.8 mt-10 -61.55 -27.19 68.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.802 0.334 . . . . 2.5099999999999998 110.997 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.34 -49.02 7.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.297 -0.41 . . . . 0.64000000000000001 111.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.48 -45.19 12.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.407 0.521 . . . . 0.98999999999999999 112.407 -172.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.1 -64.09 0.98 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.957 0.355 . . . . 1.55 111.957 -170.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.5 t -86.79 4.79 39.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.992 0.425 . . . . 2.3300000000000001 110.638 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.09 -22.21 63.79 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.066 -0.588 . . . . 2.5899999999999999 112.284 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.247 0.959 0 CA-C-O 119.113 -0.47 . . . . 4.4000000000000004 110.158 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 121.205 0.526 . . . . 2.3999999999999999 110.234 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -82.89 -35.18 26.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.547 -0.752 . . . . 2.52 111.259 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.518 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 3.1 mppt? -62.45 -32.67 73.58 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.552 0.575 . . . . 1.8999999999999999 112.552 -170.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -65.46 -39.08 91.57 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.91 -0.316 . . . . 1.49 111.04 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' NH2' ' HA ' ' B' ' 81' ' ' THR . 35.4 mtm180 -74.72 -32.97 62.29 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.451 -0.574 . . . . 2.3399999999999999 109.451 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.518 ' HB3' ' HA ' ' A' ' 18' ' ' LYS . 9.5 tp -54.31 -50.04 68.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.987 -1.006 . . . . 0.69999999999999996 110.084 172.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.621 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -56.7 -53.38 58.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.534 -0.757 . . . . 0.82999999999999996 111.116 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 29.9 t80 -55.33 -44.49 75.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 2.9900000000000002 111.504 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.667 ' HB2' HD23 ' A' ' 72' ' ' LEU . . . -59.73 -42.46 93.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.169 0.509 . . . . 1.1399999999999999 111.087 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.478 HG23 HD13 ' A' ' 29' ' ' LEU . 74.0 mt -69.94 -37.65 73.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.388 -0.824 . . . . 0.96999999999999997 110.4 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 61.5 mt -54.63 -49.42 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.78000000000000003 110.547 174.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -68.6 -51.19 45.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.416 -0.357 . . . . 1.5800000000000001 111.879 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.19 -48.72 80.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 1.98 110.933 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.9 mp -69.26 -27.32 65.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.583 -0.28 . . . . 0.69999999999999996 111.361 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 50.3 t-80 -67.13 -48.86 66.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.393 . . . . 1.4099999999999999 110.21 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -69.36 -43.67 73.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.986 -0.552 . . . . 1.98 110.555 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.873 -0.603 . . . . 1.9199999999999999 110.444 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' A' ' 46' ' ' LEU . 1.5 tm? -62.39 -52.83 62.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 1.22 109.782 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -69.13 -30.57 68.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 3.4900000000000002 110.512 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -76.05 -24.79 55.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 2.6800000000000002 111.048 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.64 39.74 8.07 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.154 -0.545 . . . . 0.53000000000000003 112.279 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.91 -42.58 99.65 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.169 -0.539 . . . . 0.52000000000000002 113.504 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.512 HD23 HD11 ' A' ' 46' ' ' LEU . 3.4 mm? -104.06 -173.96 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.815 0.307 . . . . 0.82999999999999996 110.77 -177.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -77.65 -171.78 2.33 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.55 -0.296 . . . . 1.4199999999999999 111.028 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.9 m -67.87 -58.81 3.96 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.104 0.409 . . . . 1.6299999999999999 112.104 -173.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -62.84 -35.29 79.47 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.465 0.65 . . . . 2.2000000000000002 109.847 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.14 -36.91 85.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.048 -0.978 . . . . 0.54000000000000004 110.889 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.466 ' O ' HD21 ' A' ' 33' ' ' LEU . 25.4 tt0 -61.4 -51.26 69.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.627 . . . . 1.5600000000000001 109.856 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.31 -37.98 73.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.527 -0.76 . . . . 2.3599999999999999 110.432 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m -66.96 -31.8 72.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.583 -0.735 . . . . 1.04 111.812 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.671 ' HB2' HD23 ' A' ' 33' ' ' LEU . 20.3 mt -61.93 -53.34 57.07 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 121.04 -0.264 . . . . 1.28 110.662 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 39.5 tt0 -55.44 -44.84 76.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.941 -0.572 . . . . 1.76 110.827 -176.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.1 t -61.84 -47.72 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.48999999999999999 110.509 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.52 96.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.017 -0.538 . . . . 0.47999999999999998 111.393 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 46' ' ' LEU . 83.9 mt -56.19 -50.7 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.60999999999999999 110.735 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 73.3 mm-40 -64.56 -37.17 86.63 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.215 0.531 . . . . 1.8400000000000001 110.851 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 72.5 m -68.19 -48.18 65.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.817 -0.629 . . . . 0.68999999999999995 111.282 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.3 -35.57 81.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.563 0.221 . . . . 0.76000000000000001 110.88 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -57.42 -51.24 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 1.6499999999999999 109.868 175.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.9 m -67.63 -34.3 76.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.521 -0.763 . . . . 1.1599999999999999 110.907 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.8 -63.67 1.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.647 -0.706 . . . . 1.1499999999999999 112.165 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.621 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 96.3 m-85 -77.04 -2.53 34.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.839 0.352 . . . . 2.0499999999999998 111.22 -176.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.71 34.83 66.69 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.105 -0.569 . . . . 2.6000000000000001 111.743 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -100.29 152.99 4.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.062 0.458 . . . . 1.3500000000000001 110.842 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.3 p -137.06 -170.06 2.63 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.759 -0.655 . . . . 2.3799999999999999 109.75 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 64' ' ' SER . 14.5 p -69.54 -12.48 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 121.796 0.808 . . . . 2.21 110.267 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.17 -31.08 72.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.513 0.673 . . . . 4.0099999999999998 109.446 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.419 ' HA ' ' HG ' ' A' ' 66' ' ' LEU . 8.2 m-20 -75.62 -8.0 55.69 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.397 -0.82 . . . . 3.6200000000000001 110.241 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 22.9 t -80.33 -29.35 38.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.131 -0.692 . . . . 2.9100000000000001 109.131 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.73 -41.42 92.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 3.46 110.641 175.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 63' ' ' ASP . 3.2 pp -90.34 28.96 1.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.116 0.484 . . . . 1.8700000000000001 111.407 178.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.6 160.63 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.836 -0.62 . . . . 1.53 111.665 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.54 HD12 HD21 ' A' ' 72' ' ' LEU . 84.8 mt -97.15 158.94 32.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.608 -0.724 . . . . 1.55 110.016 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -43.0 -49.3 7.07 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.584 2.856 . . . . 2.7400000000000002 114.143 -175.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -123.67 177.11 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.175 -0.306 . . . . 2.75 110.175 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.5 p -70.72 142.1 51.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.237 0.541 . . . . 1.55 109.598 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.667 HD23 ' HB2' ' A' ' 24' ' ' ALA . 3.9 mm? -76.59 -34.87 1.4 Allowed Pre-proline 0 C--N 1.321 -0.662 0 CA-C-O 118.531 -0.747 . . . . 1.79 112.671 -176.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.438 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 68.1 Cg_exo -48.0 -31.05 15.08 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.382 1.388 . . . . 1.0700000000000001 112.604 168.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' HG2' ' A' ' 77' ' ' GLU . 31.9 tt0 -74.89 -35.19 62.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.489 0.661 . . . . 2.2799999999999998 110.147 176.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.7 mm -63.42 -40.11 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.367 -0.605 . . . . 1.3799999999999999 109.367 172.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 11.0 m-30 -66.2 -45.12 81.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.22 -0.9 . . . . 2.3599999999999999 110.698 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' A' ' 74' ' ' GLU . 12.5 pt-20 -64.48 -19.1 65.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.844 0.354 . . . . 2.52 110.923 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.94 -63.56 1.28 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.418 -0.356 . . . . 0.65000000000000002 111.121 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -50.1 38.26 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.259 0.466 . . . . 0.98999999999999999 112.259 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.42 ' HB1' HD12 ' B' ' 72' ' ' LEU . . . -72.98 -11.65 60.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.912 -0.585 . . . . 1.5600000000000001 111.541 -173.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.434 ' HA ' ' NH2' ' B' ' 20' ' ' ARG . 42.1 m -99.85 -18.36 17.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.282 0.563 . . . . 2.3300000000000001 110.208 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.81 46.9 2.72 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.935 -0.65 . . . . 2.5899999999999999 112.798 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.3 tttt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.503 -0.761 . . . . 4.4100000000000001 109.691 176.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.728 0.299 . . . . 3.6800000000000002 110.204 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -88.96 132.15 34.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.158 0.504 . . . . 2.4199999999999999 110.217 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -83.01 -35.08 26.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.561 -0.745 . . . . 2.52 111.157 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.498 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 3.1 mppt? -62.61 -32.76 73.83 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.44 0.533 . . . . 1.8899999999999999 112.44 -170.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -65.25 -39.27 92.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.018 -0.273 . . . . 1.49 111.008 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.434 ' NH2' ' HA ' ' A' ' 81' ' ' THR . 35.3 mtm180 -74.58 -33.13 62.58 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.424 -0.584 . . . . 2.3399999999999999 109.424 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' B' ' 18' ' ' LYS . 9.5 tp -54.21 -50.1 67.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.985 -1.007 . . . . 0.69999999999999996 110.133 172.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.623 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -56.62 -53.38 58.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.647 -0.706 . . . . 0.82999999999999996 111.123 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.583 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 30.0 t80 -55.29 -44.58 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 2.9900000000000002 111.431 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.668 ' HB2' HD23 ' B' ' 72' ' ' LEU . . . -59.68 -42.39 92.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.217 0.532 . . . . 1.1399999999999999 111.106 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.471 HG23 HD13 ' B' ' 29' ' ' LEU . 74.2 mt -70.03 -37.58 72.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.435 -0.802 . . . . 0.96999999999999997 110.409 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' B' ' 30' ' ' HIS . 61.3 mt -54.61 -49.6 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.78000000000000003 110.43 174.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -68.45 -51.39 44.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 1.5800000000000001 111.774 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.0 -48.87 79.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 1.98 110.892 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.593 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.9 mp -69.08 -27.36 65.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.602 -0.272 . . . . 0.69999999999999996 111.423 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' B' ' 26' ' ' ILE . 50.2 t-80 -67.17 -48.84 66.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.938 0.399 . . . . 1.4099999999999999 110.265 177.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.15 -43.94 73.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.045 -0.525 . . . . 1.98 110.537 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -61.8 -29.1 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.9299999999999999 110.5 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' B' ' 46' ' ' LEU . 1.5 tm? -62.28 -52.95 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.634 -0.712 . . . . 1.22 109.643 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -69.02 -30.7 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.57 -0.741 . . . . 3.5 110.531 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -75.9 -25.08 55.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.86 -0.609 . . . . 2.6899999999999999 111.017 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.88 39.69 7.97 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 121.127 -0.558 . . . . 0.53000000000000003 112.264 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.12 -42.1 99.58 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.236 -0.507 . . . . 0.53000000000000003 113.591 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.525 HD23 HD11 ' B' ' 46' ' ' LEU . 3.5 mm? -104.49 -173.95 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.872 0.336 . . . . 0.82999999999999996 110.709 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -77.42 -171.89 2.29 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.47 -0.332 . . . . 1.4199999999999999 110.954 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.9 m -67.87 -59.02 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.108 0.41 . . . . 1.6299999999999999 112.108 -173.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -62.78 -35.26 79.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.551 0.691 . . . . 2.21 109.867 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.9 85.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.017 -0.992 . . . . 0.54000000000000004 110.902 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.464 ' O ' HD21 ' B' ' 33' ' ' LEU . 25.4 tt0 -61.32 -51.46 68.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.626 . . . . 1.5700000000000001 109.808 178.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.22 -37.89 72.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.669 -0.696 . . . . 2.3599999999999999 110.504 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.5 m -66.92 -31.97 72.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.595 -0.73 . . . . 1.04 111.895 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.699 ' HB2' HD23 ' B' ' 33' ' ' LEU . 20.3 mt -61.74 -53.56 54.43 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 121.066 -0.253 . . . . 1.28 110.609 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 40.0 tt0 -55.28 -44.86 76.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.959 -0.564 . . . . 1.75 110.873 -176.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.78 -47.87 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.48999999999999999 110.437 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.55 96.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.546 . . . . 0.47999999999999998 111.431 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 46' ' ' LEU . 83.6 mt -56.14 -50.75 68.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.62 110.8 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 73.7 mm-40 -64.7 -37.27 87.01 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.031 -0.531 . . . . 1.8400000000000001 110.731 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 72.3 m -68.04 -48.12 66.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.902 -0.59 . . . . 0.68999999999999995 111.282 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.27 -35.66 81.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.703 0.287 . . . . 0.76000000000000001 110.853 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -57.4 -51.33 69.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.23 0.538 . . . . 1.6599999999999999 109.972 175.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.9 m -67.28 -34.7 77.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.543 -0.753 . . . . 1.1499999999999999 110.849 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.48 -63.75 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.642 -0.708 . . . . 1.1399999999999999 112.237 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.623 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 96.3 m-85 -76.92 -2.67 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.869 0.366 . . . . 2.0600000000000001 111.259 -176.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.83 34.65 65.94 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.112 -0.566 . . . . 2.6000000000000001 111.836 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.06 153.22 4.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.058 0.456 . . . . 1.3500000000000001 110.976 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -137.49 -171.15 2.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.613 -0.722 . . . . 2.3799999999999999 109.718 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' B' ' 64' ' ' SER . 14.6 p -68.79 -12.41 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.773 0.797 . . . . 2.21 110.236 175.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -63.15 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.585 0.707 . . . . 4.0 109.419 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.401 ' HA ' ' HG ' ' B' ' 66' ' ' LEU . 8.5 m-20 -75.6 -7.88 55.37 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.377 -0.829 . . . . 3.6200000000000001 110.231 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.583 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 22.8 t -80.48 -29.51 37.39 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.197 -0.668 . . . . 2.9199999999999999 109.197 173.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.34 -41.67 93.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.94 -0.573 . . . . 3.46 110.708 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' B' ' 66' ' ' LEU . 3.2 pp -89.57 27.29 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.158 0.504 . . . . 1.8700000000000001 111.452 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.34 160.66 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 1.54 111.769 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.512 HD12 HD21 ' B' ' 72' ' ' LEU . 85.1 mt -97.28 159.08 32.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.589 -0.732 . . . . 1.5600000000000001 110.021 177.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -43.12 -49.26 7.28 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.679 2.919 . . . . 2.75 114.118 -175.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -123.97 176.73 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.066 -0.346 . . . . 2.7599999999999998 110.066 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 73.4 p -70.55 144.59 51.23 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.298 -0.63 . . . . 1.55 109.298 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.668 HD23 ' HB2' ' B' ' 24' ' ' ALA . 3.9 mm? -78.49 -34.67 1.05 Allowed Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 118.642 -0.694 . . . . 1.79 112.61 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.435 ' HA ' ' CD2' ' B' ' 76' ' ' PHE . 67.4 Cg_exo -48.06 -31.13 15.49 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.426 1.418 . . . . 1.0600000000000001 112.572 168.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' B' ' 77' ' ' GLU . 32.1 tt0 -74.9 -35.28 62.25 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.337 0.589 . . . . 2.27 110.11 176.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 22.6 mm -63.35 -40.03 87.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.384 0.611 . . . . 1.3700000000000001 109.357 172.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 10.9 m-30 -66.26 -45.04 81.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.239 -0.892 . . . . 2.3700000000000001 110.654 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 74' ' ' GLU . 12.5 pt-20 -64.6 -19.26 65.56 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.764 -0.375 . . . . 2.5099999999999998 110.876 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.48 -63.96 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.886 0.374 . . . . 0.64000000000000001 111.107 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.96 40.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.32 0.489 . . . . 0.98999999999999999 112.32 -174.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -72.78 -12.44 61.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.872 -0.604 . . . . 1.55 111.454 -173.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.448 ' HA ' ' NH2' ' A' ' 20' ' ' ARG . 45.2 m -99.52 -18.01 17.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 2.3300000000000001 110.301 173.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.95 46.79 2.69 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.903 -0.665 . . . . 2.5899999999999999 112.771 -175.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 77.2 tttt . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.378 -0.82 . . . . 4.4000000000000004 109.867 177.058 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.429 ' OD1' ' HG3' ' A' ' 19' ' ' LYS . 16.2 m-20 . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.122 0.487 . . . . 2.3999999999999999 111.462 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.89 -43.75 12.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.125 -0.489 . . . . 2.52 110.62 176.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -66.83 -43.28 84.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.98 0.419 . . . . 1.8999999999999999 110.334 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.429 ' HG3' ' OD1' ' A' ' 16' ' ' ASP . 2.6 mmmm -59.25 -58.05 10.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.552 -0.749 . . . . 1.49 110.907 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -72.34 -19.48 61.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.163 -0.926 . . . . 2.3399999999999999 110.997 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.458 HD13 ' CE2' ' B' ' 76' ' ' PHE . 14.0 tp -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.298 -0.63 . . . . 0.69999999999999996 109.298 171.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.567 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -63.27 -50.12 71.37 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.466 -0.788 . . . . 0.82999999999999996 110.561 178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.506 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -54.26 -48.29 71.33 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.277 0.36 . . . . 2.9900000000000002 111.194 -177.384 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.443 ' HB1' ' HD3' ' A' ' 73' ' ' PRO . . . -67.11 -41.12 86.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.466 -0.334 . . . . 1.1399999999999999 111.24 -175.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.56 -41.94 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.96999999999999997 110.43 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 22' ' ' ALA . 90.3 mt -57.69 -50.62 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.655 0.265 . . . . 0.78000000000000003 110.736 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -62.41 -46.96 86.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 1.5800000000000001 111.662 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.33 -47.07 83.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.38 . . . . 1.98 110.564 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.8 mp -72.15 -22.05 61.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.69999999999999996 111.467 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -70.53 -46.97 62.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.021 -0.363 . . . . 1.4099999999999999 110.021 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.69 -44.6 89.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 1.98 110.026 177.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.453 HE22 HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -60.78 -37.17 80.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 1.9199999999999999 110.871 176.767 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.588 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.47 -48.02 76.79 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.573 -0.528 . . . . 1.22 109.573 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.03 -32.73 74.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.786 -0.643 . . . . 3.4900000000000002 110.404 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -77.99 -20.89 51.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.753 -0.658 . . . . 2.6800000000000002 111.496 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.19 43.71 12.88 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.063 -0.589 . . . . 0.53000000000000003 111.96 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.78 -62.86 4.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.119 -0.562 . . . . 0.52000000000000002 113.237 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.15 -178.51 6.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.868 0.366 . . . . 0.82999999999999996 111.257 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -69.73 174.65 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 1.4199999999999999 111.455 -177.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.3 t -60.85 -55.65 30.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.673 0.273 . . . . 1.6299999999999999 111.228 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.8 -40.75 93.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 2.2000000000000002 110.437 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.537 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -57.93 -47.2 83.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.7 -0.682 . . . . 0.54000000000000004 110.908 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.414 ' HA ' HD21 ' A' ' 33' ' ' LEU . 27.7 mt-30 -53.58 -60.2 3.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.777 -0.647 . . . . 1.5600000000000001 111.323 177.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -49.11 -43.25 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.228 -0.896 . . . . 2.3599999999999999 111.259 176.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.8 m -67.65 -34.49 77.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 1.04 111.671 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 32.2 mt -65.52 -39.58 92.0 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 121.026 -0.27 . . . . 1.28 110.453 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.15 -40.33 77.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.17 0.509 . . . . 1.76 110.15 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.62 -48.65 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.777 -0.647 . . . . 0.48999999999999999 110.218 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.79 -39.94 82.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.47999999999999998 111.475 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 58.1 mt -55.74 -55.67 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.046 -0.525 . . . . 0.60999999999999999 110.944 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.64 -32.97 74.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.688 0.28 . . . . 1.8400000000000001 111.317 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.3 m -66.53 -51.44 56.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.335 -0.393 . . . . 0.68999999999999995 110.948 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.64 -38.36 89.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.045 0.45 . . . . 0.76000000000000001 110.301 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 42.3 tt0 -54.61 -53.2 57.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.33 -0.85 . . . . 1.6499999999999999 110.507 176.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -70.26 -30.86 68.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.038 -0.528 . . . . 1.1599999999999999 111.044 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -62.88 1.36 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 1.1499999999999999 112.231 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 95.3 m-85 -75.21 -12.27 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.356 -0.383 . . . . 2.0499999999999998 111.12 -175.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.56 28.43 47.61 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.77 -0.729 . . . . 2.6000000000000001 111.643 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 27.0 m -103.48 152.21 6.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.394 -0.224 . . . . 1.3500000000000001 110.394 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.528 ' OG1' ' HG2' ' A' ' 62' ' ' GLU . 12.7 p -141.98 -169.15 2.86 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.591 -0.522 . . . . 2.3799999999999999 109.591 176.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -56.67 -27.28 25.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 120.836 0.351 . . . . 2.21 111.685 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.528 ' HG2' ' OG1' ' A' ' 60' ' ' THR . 12.7 pt-20 -65.24 -24.88 67.45 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.05 0.452 . . . . 4.0099999999999998 110.675 178.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 2.9 t70 -75.71 -17.81 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.789 0.804 . . . . 3.6200000000000001 109.051 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.506 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 36.6 t -81.86 -19.79 40.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.395 -0.82 . . . . 2.9100000000000001 109.583 174.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -75.93 -27.2 57.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 3.46 110.895 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 2.2 pp -88.0 31.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.368 0.604 . . . . 1.8700000000000001 109.935 172.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -47.54 150.18 1.02 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.592 -1.186 . . . . 1.53 113.124 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.9 mt -96.72 149.38 35.72 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 115.342 -0.844 . . . . 1.55 110.461 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -42.34 -51.58 4.84 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.422 2.748 . . . . 2.7400000000000002 112.584 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -103.61 150.01 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.423 -0.808 . . . . 2.75 109.621 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.2 p -79.86 139.74 37.04 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.173 -0.677 . . . . 1.55 109.173 171.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.528 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 65.4 mt -79.97 -37.5 1.1 Allowed Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 113.466 0.913 . . . . 1.79 113.466 -168.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.588 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 52.5 Cg_exo -57.79 -31.01 91.17 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.151 1.234 . . . . 1.0700000000000001 111.97 170.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -69.02 -47.53 65.22 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.924 -0.398 . . . . 2.2799999999999998 109.924 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.6 mm -52.95 -42.9 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.462 0.648 . . . . 1.3799999999999999 109.882 171.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 2.2 t80 -60.65 -36.92 79.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.973 -1.012 . . . . 2.3599999999999999 110.826 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 45.9 mt-10 -65.53 -27.11 68.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.762 0.315 . . . . 2.52 111.098 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.69 -45.2 10.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.65000000000000002 111.136 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.61 19.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.217 0.451 . . . . 0.98999999999999999 112.217 -175.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.58 -8.43 55.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.599 0.592 . . . . 1.5600000000000001 112.599 -170.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 p -93.75 5.35 51.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.241 0.543 . . . . 2.3300000000000001 110.628 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.18 -124.21 0.77 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.24 -0.744 . . . . 2.5899999999999999 111.24 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.247 0.967 0 CA-C-O 119.078 -0.487 . . . . 4.4100000000000001 110.31 176.781 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.567 0.222 . . . . 3.6800000000000002 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' B' ' 19' ' ' LYS . 15.8 m-20 -83.54 76.81 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.502 . . . . 2.4199999999999999 111.153 -173.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.85 -44.14 12.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.158 -0.474 . . . . 2.52 110.654 176.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -66.85 -43.11 84.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 1.8899999999999999 110.382 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.411 ' HG3' ' OD1' ' B' ' 16' ' ' ASP . 2.5 mmmm -59.24 -58.25 9.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.515 -0.766 . . . . 1.49 110.872 -178.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -72.2 -19.37 61.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.25 -0.886 . . . . 2.3399999999999999 111.091 -173.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 76' ' ' PHE . 14.0 tp -59.74 -49.61 77.06 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.306 -0.628 . . . . 0.69999999999999996 109.306 171.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.561 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -63.42 -49.97 71.65 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.426 -0.806 . . . . 0.82999999999999996 110.521 178.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' B' ' 64' ' ' SER . 0.0 OUTLIER -54.26 -48.35 71.28 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.244 0.34 . . . . 2.9900000000000002 111.169 -177.44 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.443 ' HB1' ' HD3' ' B' ' 73' ' ' PRO . . . -67.12 -41.2 86.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.458 -0.337 . . . . 1.1399999999999999 111.113 -175.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 35.1 mt -67.64 -41.78 85.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.301 -0.408 . . . . 0.96999999999999997 110.394 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.44 HG13 ' O ' ' B' ' 22' ' ' ALA . 90.6 mt -57.68 -50.8 76.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.61 0.243 . . . . 0.78000000000000003 110.711 177.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -62.21 -47.15 85.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 1.5800000000000001 111.606 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -63.17 -46.89 85.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.004 0.431 . . . . 1.98 110.651 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.8 mp -72.2 -22.15 61.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.234 -0.439 . . . . 0.69999999999999996 111.517 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -70.38 -47.05 62.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.361 . . . . 1.4099999999999999 110.132 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.71 -44.4 90.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 1.98 110.033 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.458 HE22 HD12 ' B' ' 46' ' ' LEU . 0.7 OUTLIER -61.06 -37.08 81.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.517 -0.765 . . . . 1.9299999999999999 110.862 176.746 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -64.41 -48.02 76.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.633 -0.506 . . . . 1.22 109.633 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.03 -32.73 74.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 3.5 110.391 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -78.11 -21.0 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 2.6899999999999999 111.391 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.84 42.52 12.79 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.936 -0.649 . . . . 0.53000000000000003 112.052 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.17 -62.8 4.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.066 -0.587 . . . . 0.53000000000000003 113.137 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.22 -178.41 6.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.818 0.342 . . . . 0.82999999999999996 111.321 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.9 m -69.81 174.73 4.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 1.4199999999999999 111.398 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -60.84 -55.69 30.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 1.6299999999999999 111.094 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -60.89 -40.5 93.27 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.228 -0.442 . . . . 2.21 110.531 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -58.1 -47.11 84.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.66 -0.7 . . . . 0.54000000000000004 110.799 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.407 ' HA ' HD21 ' B' ' 33' ' ' LEU . 27.6 mt-30 -53.62 -60.1 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 1.5700000000000001 111.358 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -49.31 -43.07 43.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.168 -0.924 . . . . 2.3599999999999999 111.302 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 39.5 m -67.69 -34.59 77.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 1.04 111.664 -178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 31.8 mt -65.4 -39.51 92.29 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 121.024 -0.27 . . . . 1.28 110.504 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.28 -40.3 77.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.167 0.508 . . . . 1.75 110.075 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 23.5 t -69.67 -48.5 64.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.793 -0.639 . . . . 0.48999999999999999 110.229 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.63 82.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.902 -0.59 . . . . 0.47999999999999998 111.482 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 57.9 mt -55.89 -55.68 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 0.62 110.928 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.6 -33.05 74.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.571 -0.286 . . . . 1.8400000000000001 111.336 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.7 m -66.44 -51.65 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.3 -0.409 . . . . 0.68999999999999995 110.869 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.56 -38.32 89.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.072 0.463 . . . . 0.76000000000000001 110.278 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 42.3 tt0 -54.68 -53.24 57.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.363 -0.835 . . . . 1.6599999999999999 110.452 176.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.5 m -70.34 -30.61 67.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.022 -0.535 . . . . 1.1499999999999999 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.98 -63.05 1.26 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.162 -0.472 . . . . 1.1399999999999999 112.221 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 94.9 m-85 -75.08 -12.12 60.25 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.318 -0.401 . . . . 2.0600000000000001 111.241 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.34 28.72 47.56 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.855 -0.688 . . . . 2.6000000000000001 111.603 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 26.9 m -103.82 151.57 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.672 0.272 . . . . 1.3500000000000001 110.382 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' THR . . . . . 0.531 ' OG1' ' HG2' ' B' ' 62' ' ' GLU . 13.7 p -141.52 -170.46 3.1 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.621 -0.511 . . . . 2.3799999999999999 109.621 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -55.61 -27.53 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 120.698 0.285 . . . . 2.21 111.741 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.531 ' HG2' ' OG1' ' B' ' 60' ' ' THR . 12.7 pt-20 -65.11 -24.74 67.51 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.015 0.436 . . . . 4.0 110.737 178.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.414 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 3.0 t70 -75.76 -17.89 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.829 0.823 . . . . 3.6200000000000001 109.037 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 34.7 t -81.8 -19.89 40.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.404 -0.817 . . . . 2.9199999999999999 109.594 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -75.83 -27.27 57.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 3.46 110.878 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 2.2 pp -86.91 28.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.302 0.572 . . . . 1.8700000000000001 110.157 172.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' B' ' 64' ' ' SER . . . -45.58 149.81 0.55 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 114.658 -1.155 . . . . 1.54 113.372 -177.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 98.1 mt -96.51 149.43 35.83 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.28 -0.873 . . . . 1.5600000000000001 110.546 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -43.01 -50.29 6.37 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.341 2.694 . . . . 2.75 112.855 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -104.42 150.07 24.86 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 2.7599999999999998 109.511 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 10.6 p -79.73 143.28 34.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.703 -0.851 . . . . 1.55 108.703 171.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 67.3 mt -82.49 -37.57 0.78 Allowed Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 113.249 0.833 . . . . 1.79 113.249 -168.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.589 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 53.1 Cg_exo -57.8 -31.04 91.29 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.154 1.236 . . . . 1.0600000000000001 111.999 170.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.04 -47.66 64.83 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.798 -0.445 . . . . 2.27 109.798 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 17.5 mm -52.86 -42.97 44.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.415 0.626 . . . . 1.3700000000000001 109.842 171.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 2.2 t80 -60.54 -36.93 79.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.94 -1.027 . . . . 2.3700000000000001 110.858 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.5 mt-10 -65.47 -27.75 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.665 0.269 . . . . 2.5099999999999998 111.027 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.85 -45.16 10.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.962 0.411 . . . . 0.64000000000000001 111.315 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.13 -50.72 18.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.217 0.451 . . . . 0.98999999999999999 112.217 -175.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.26 -11.11 60.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.611 0.597 . . . . 1.55 112.611 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 17.1 p -92.03 5.09 51.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.174 0.512 . . . . 2.3300000000000001 110.767 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.78 -124.34 0.79 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.354 -0.699 . . . . 2.5899999999999999 111.354 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.246 0.88 0 CA-C-O 119.354 -0.355 . . . . 4.4000000000000004 110.154 176.502 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 17.7 m-20 . . . . . 0 CA--C 1.517 -0.306 0 CA-C-O 120.79 0.329 . . . . 2.3999999999999999 110.295 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -76.49 -14.3 60.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.41 0.624 . . . . 2.52 109.612 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -59.07 -35.92 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.326 -0.852 . . . . 1.8999999999999999 111.103 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 16' ' ' ASP . 21.0 ptmt -70.67 -38.71 73.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 1.49 110.593 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' CZ ' HD21 ' A' ' 68' ' ' LEU . 37.1 mtm180 -73.56 -21.73 60.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.606 0.717 . . . . 2.3399999999999999 110.037 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.557 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 30.5 tp -61.92 -39.53 92.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.209 -0.905 . . . . 0.69999999999999996 109.704 171.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.664 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -64.82 -54.56 29.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.305 -0.861 . . . . 0.82999999999999996 112.095 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.457 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -58.02 -40.03 79.81 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.716 0.293 . . . . 2.9900000000000002 110.466 -174.145 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HB1' ' HD3' ' A' ' 73' ' ' PRO . . . -64.32 -38.63 91.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.155 0.502 . . . . 1.1399999999999999 110.873 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.09 -44.3 74.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.538 -0.755 . . . . 0.96999999999999997 110.032 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.445 HG23 HG23 ' A' ' 50' ' ' ILE . 87.6 mt -56.14 -48.79 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.859 -0.61 . . . . 0.78000000000000003 110.606 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 81.3 mm-40 -58.65 -43.69 89.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.771 -0.649 . . . . 1.5800000000000001 111.632 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.541 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 40.6 t80 -71.68 -53.85 12.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.404 -0.362 . . . . 1.98 111.052 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.63 -31.01 69.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.69999999999999996 111.355 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -56.1 -57.08 13.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.147 0.499 . . . . 1.4099999999999999 110.765 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.11 -34.91 64.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.845 -0.616 . . . . 1.98 110.805 -176.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -60.15 -41.01 91.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.987 0.422 . . . . 1.9199999999999999 110.533 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.429 HD23 HD12 ' A' ' 46' ' ' LEU . 3.3 tm? -62.87 -45.49 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 1.22 109.735 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -66.62 -24.17 66.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.724 -0.671 . . . . 3.4900000000000002 111.167 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -94.17 -2.94 51.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.452 -0.34 . . . . 2.6800000000000002 111.351 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.64 41.86 98.93 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.991 -0.549 . . . . 0.53000000000000003 112.438 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.45 -48.75 84.49 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.246 -0.502 . . . . 0.52000000000000002 113.094 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.14 -176.25 4.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.5 0.191 . . . . 0.82999999999999996 110.929 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 t -69.64 -176.66 1.07 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.583 -0.28 . . . . 1.4199999999999999 111.119 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 11.4 p -62.78 -64.22 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.109 0.411 . . . . 1.6299999999999999 112.109 -174.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.8 -32.7 74.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.267 0.556 . . . . 2.2000000000000002 110.695 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.53 85.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.611 -0.722 . . . . 0.54000000000000004 110.71 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 40' ' ' SER . 25.6 mt-30 -59.69 -57.24 13.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 1.5600000000000001 110.939 174.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 48' ' ' VAL . 54.7 mm-40 -46.1 -41.02 11.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.379 -0.828 . . . . 2.3599999999999999 111.143 174.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.4 m -66.12 -29.38 69.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.817 -0.629 . . . . 1.04 111.697 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.526 ' O ' HG13 ' A' ' 50' ' ' ILE . 46.2 mt -62.55 -53.17 58.6 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 110.185 -0.302 . . . . 1.28 110.185 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -55.25 -45.96 76.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 1.76 110.911 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 44' ' ' GLU . 20.5 t -60.56 -49.13 85.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.48999999999999999 110.359 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.36 96.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.861 -0.609 . . . . 0.47999999999999998 111.285 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 46' ' ' LEU . 85.2 mt -56.37 -50.66 70.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.182 -0.463 . . . . 0.60999999999999999 110.532 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -63.24 -41.71 99.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 1.8400000000000001 110.698 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.64 -50.48 66.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.594 . . . . 0.68999999999999995 111.501 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.47 -35.41 80.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.54 0.21 . . . . 0.76000000000000001 111.269 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.03 -53.41 58.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.14 0.495 . . . . 1.6499999999999999 109.95 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.0 m -68.74 -33.92 74.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 1.1599999999999999 111.1 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -58.6 -55.54 33.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 1.1499999999999999 111.811 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.664 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 98.6 m-85 -81.29 -6.36 58.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.726 0.298 . . . . 2.0499999999999998 111.106 -178.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.56 31.73 65.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.091 -0.575 . . . . 2.6000000000000001 112.041 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.9 m -104.67 162.9 4.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.447 . . . . 1.3500000000000001 111.187 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.1 p -140.64 -169.58 2.82 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.067 -0.716 . . . . 2.3799999999999999 109.067 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.0 -21.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.415 0.626 . . . . 2.21 109.975 174.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HA ' ' OD2' ' A' ' 65' ' ' ASP . 31.8 mt-10 -64.11 -24.73 67.8 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.517 -0.765 . . . . 4.0099999999999998 110.93 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -74.32 -23.22 59.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 3.6200000000000001 109.322 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 13.9 t -80.46 -16.34 54.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.483 -0.781 . . . . 2.9100000000000001 109.583 175.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.476 ' OD2' ' HA ' ' A' ' 62' ' ' GLU . 5.8 m-20 -71.69 -40.33 69.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.173 -0.467 . . . . 3.46 110.284 173.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -87.88 31.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.473 0.654 . . . . 1.8700000000000001 110.32 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -50.21 152.84 1.62 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.685 -1.143 . . . . 1.53 113.375 -176.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.483 HD21 ' CZ ' ' A' ' 20' ' ' ARG . 88.3 mt -82.72 167.18 31.57 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 114.883 -1.053 . . . . 1.55 110.33 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 68' ' ' LEU . 5.5 Cg_exo -39.85 -48.62 3.64 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 123.695 2.93 . . . . 2.7400000000000002 112.684 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -135.38 153.38 51.84 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.96 -0.756 . . . . 2.75 108.96 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -70.59 142.23 51.72 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.379 0.609 . . . . 1.55 110.027 176.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 73' ' ' PRO . 28.4 mt -66.93 -30.55 3.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 114.34 1.237 . . . . 1.79 114.34 -170.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.541 ' CG ' ' HB2' ' A' ' 28' ' ' PHE . 20.8 Cg_exo -36.58 -45.84 1.18 Allowed 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.777 2.318 . . . . 1.0700000000000001 113.919 170.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 31.7 tt0 -72.77 -37.38 67.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.951 0.405 . . . . 2.2799999999999998 110.626 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.8 mm -58.81 -38.68 73.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.003 0.43 . . . . 1.3799999999999999 109.985 174.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.487 ' CD2' ' HA ' ' A' ' 73' ' ' PRO . 18.4 m-30 -60.18 -42.22 94.53 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.598 -0.728 . . . . 2.3599999999999999 110.713 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 13.1 pt-20 -80.69 -24.83 38.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.751 0.31 . . . . 2.52 111.028 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.75 -64.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.273 0.472 . . . . 0.65000000000000002 112.273 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.72 -27.98 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.949 0.405 . . . . 0.98999999999999999 111.968 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -75.89 -19.96 58.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.215 -0.448 . . . . 1.5600000000000001 111.671 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -98.77 15.91 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.471 . . . . 2.3300000000000001 110.817 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.37 124.72 1.43 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.83 -0.7 . . . . 2.5899999999999999 112.272 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.408 -0.806 . . . . 4.4100000000000001 109.835 177.733 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.162 -0.31 . . . . 3.6800000000000002 110.162 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.61 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 18.9 m-20 -77.18 105.77 8.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.238 -0.437 . . . . 2.4199999999999999 110.533 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -76.52 -14.43 60.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.302 0.573 . . . . 2.52 109.542 176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 0.9 OUTLIER -59.05 -35.81 73.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.347 -0.842 . . . . 1.8899999999999999 111.122 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' B' ' 16' ' ' ASP . 21.0 ptmt -70.72 -38.71 73.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.565 -0.289 . . . . 1.49 110.667 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.479 ' CZ ' HD21 ' B' ' 68' ' ' LEU . 37.2 mtm180 -73.66 -21.6 60.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.557 0.694 . . . . 2.3399999999999999 109.942 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.557 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 30.5 tp -61.98 -39.45 92.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.313 -0.858 . . . . 0.69999999999999996 109.639 171.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.659 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -64.99 -54.61 27.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.369 -0.832 . . . . 0.82999999999999996 111.982 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.444 ' O ' ' HG2' ' B' ' 27' ' ' GLN . 0.3 OUTLIER -58.03 -39.94 79.61 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-O 120.733 0.302 . . . . 2.9900000000000002 110.51 -174.106 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.453 ' HB1' ' HD3' ' B' ' 73' ' ' PRO . . . -64.3 -38.6 91.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 1.1399999999999999 110.903 -177.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.21 -44.27 73.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.604 -0.725 . . . . 0.96999999999999997 110.045 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.442 HG23 HG23 ' B' ' 50' ' ' ILE . 87.8 mt -56.01 -49.0 77.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.78000000000000003 110.577 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 80.2 mm-40 -58.62 -43.58 89.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 1.5800000000000001 111.745 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.544 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 40.2 t80 -71.77 -53.69 12.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 1.98 111.049 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.73 -31.18 69.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.69999999999999996 111.315 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -55.86 -57.16 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.177 0.513 . . . . 1.4099999999999999 110.78 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.05 -34.88 64.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.831 -0.622 . . . . 1.98 110.92 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -60.12 -40.98 91.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.988 0.423 . . . . 1.9299999999999999 110.538 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.446 HD23 HD12 ' B' ' 46' ' ' LEU . 3.3 tm? -62.86 -45.41 92.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.808 -0.633 . . . . 1.22 109.723 177.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -66.96 -23.82 66.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.841 -0.618 . . . . 3.5 111.164 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -94.23 -3.19 51.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.791 0.329 . . . . 2.6899999999999999 111.362 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.94 41.46 98.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.117 -0.563 . . . . 0.53000000000000003 112.483 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.33 -48.55 85.43 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.195 -0.526 . . . . 0.53000000000000003 113.153 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.2 -176.2 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.404 0.145 . . . . 0.82999999999999996 111.012 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.9 t -69.82 -176.46 1.08 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.695 0.283 . . . . 1.4199999999999999 111.109 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 11.8 p -63.09 -63.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.182 0.438 . . . . 1.6299999999999999 112.182 -174.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.96 -32.75 74.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.245 0.545 . . . . 2.21 110.599 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -60.66 -38.59 85.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.656 -0.702 . . . . 0.54000000000000004 110.713 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' B' ' 40' ' ' SER . 25.3 mt-30 -59.67 -57.25 13.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.765 -0.652 . . . . 1.5700000000000001 110.803 175.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.409 ' O ' HG23 ' B' ' 48' ' ' VAL . 54.3 mm-40 -46.03 -41.02 11.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.392 -0.822 . . . . 2.3599999999999999 111.241 174.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 29.8 m -66.19 -29.31 69.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.868 -0.605 . . . . 1.04 111.686 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.517 ' O ' HG13 ' B' ' 50' ' ' ILE . 46.0 mt -62.5 -53.27 57.18 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 110.199 -0.297 . . . . 1.28 110.199 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -55.24 -45.89 76.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.744 -0.662 . . . . 1.75 110.891 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 44' ' ' GLU . 20.4 t -60.64 -49.12 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.48999999999999999 110.394 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.28 96.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.766 -0.652 . . . . 0.47999999999999998 111.264 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.517 HG13 ' O ' ' B' ' 46' ' ' LEU . 85.2 mt -56.43 -50.63 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.62 110.543 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -63.28 -41.64 99.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 1.8400000000000001 110.782 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.63 -50.62 66.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.904 -0.589 . . . . 0.68999999999999995 111.402 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.49 -35.42 80.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.559 0.219 . . . . 0.76000000000000001 111.307 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.05 -53.09 62.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.195 0.521 . . . . 1.6599999999999999 109.943 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.0 m -69.12 -33.72 73.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.519 -0.764 . . . . 1.1499999999999999 111.104 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.4 35.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 1.1399999999999999 111.813 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.659 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 98.6 m-85 -81.27 -6.38 58.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.853 0.359 . . . . 2.0600000000000001 111.17 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.51 31.93 65.13 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.124 -0.56 . . . . 2.6000000000000001 111.96 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -104.77 163.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.003 0.43 . . . . 1.3500000000000001 111.172 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 29.8 p -141.06 -170.84 3.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.564 -0.744 . . . . 2.3799999999999999 109.05 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.98 -21.68 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.432 0.634 . . . . 2.21 110.092 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.463 ' HA ' ' OD2' ' B' ' 65' ' ' ASP . 31.7 mt-10 -64.02 -24.83 67.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.577 -0.738 . . . . 4.0 110.917 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.24 -23.14 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 3.6200000000000001 109.259 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' B' ' 67' ' ' ALA . 14.3 t -80.32 -16.58 54.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.491 -0.777 . . . . 2.9199999999999999 109.555 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.463 ' OD2' ' HA ' ' B' ' 62' ' ' GLU . 5.9 m-20 -71.71 -39.92 69.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.124 -0.489 . . . . 3.46 110.477 173.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -87.1 28.23 0.95 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.277 0.561 . . . . 1.8700000000000001 110.617 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' B' ' 64' ' ' SER . . . -48.3 152.66 0.83 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.904 -1.043 . . . . 1.54 113.519 -175.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.479 HD21 ' CZ ' ' B' ' 20' ' ' ARG . 88.2 mt -82.82 167.02 32.46 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 114.72 -1.127 . . . . 1.5600000000000001 110.314 177.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' B' ' 68' ' ' LEU . 5.5 Cg_exo -39.89 -48.58 3.68 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.697 2.931 . . . . 2.75 112.756 176.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -135.15 153.33 52.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.909 -0.774 . . . . 2.7599999999999998 108.909 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -70.67 144.62 51.0 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.419 0.628 . . . . 1.55 109.716 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.556 ' N ' ' HD2' ' B' ' 73' ' ' PRO . 28.8 mt -68.93 -30.51 2.36 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 114.177 1.177 . . . . 1.79 114.177 -170.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' B' ' 72' ' ' LEU . 20.7 Cg_exo -36.48 -45.71 1.12 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.712 2.275 . . . . 1.0600000000000001 113.972 170.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' B' ' 77' ' ' GLU . 31.7 tt0 -72.94 -37.42 67.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.929 0.395 . . . . 2.27 110.587 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 25.7 mm -58.85 -38.61 73.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.967 0.413 . . . . 1.3700000000000001 109.944 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.476 ' CD2' ' HA ' ' B' ' 73' ' ' PRO . 18.6 m-30 -60.29 -42.13 94.84 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.602 -0.726 . . . . 2.3700000000000001 110.721 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 74' ' ' GLU . 13.1 pt-20 -80.6 -25.46 38.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.776 0.322 . . . . 2.5099999999999998 110.951 -177.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.75 -64.42 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.41 0.522 . . . . 0.64000000000000001 112.41 -174.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.09 -27.81 63.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.023 0.44 . . . . 0.98999999999999999 111.956 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -75.98 -19.96 58.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.116 -0.493 . . . . 1.55 111.588 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.1 p -98.58 15.66 24.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.111 0.482 . . . . 2.3300000000000001 110.853 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.66 125.24 1.44 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.878 -0.677 . . . . 2.5899999999999999 112.168 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.331 -0.842 . . . . 4.4000000000000004 109.955 177.536 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 120.8 0.333 . . . . 2.3999999999999999 110.468 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.637 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 13.3 p-10 -84.94 -14.13 48.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.257 -0.429 . . . . 2.52 110.3 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.66 -48.84 78.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.744 -0.662 . . . . 1.8999999999999999 111.086 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -63.14 -46.61 86.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 1.49 111.337 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.77 -34.83 79.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.248 0.547 . . . . 2.3399999999999999 110.625 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 tp -58.08 -51.44 69.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.303 -0.862 . . . . 0.69999999999999996 110.082 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -64.04 -48.54 75.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.82999999999999996 110.87 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 8.1 t80 -52.58 -53.03 52.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 2.9900000000000002 112.029 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.33 83.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.391 -0.368 . . . . 1.1399999999999999 111.19 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.6 mt -69.86 -39.24 77.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.105 -0.498 . . . . 0.96999999999999997 110.35 177.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 22' ' ' ALA . 49.8 mt -54.76 -55.91 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.255 -0.43 . . . . 0.78000000000000003 111.091 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.28 -44.83 93.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 1.5800000000000001 111.765 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.404 ' HB2' ' HG2' ' A' ' 73' ' ' PRO . 85.4 t80 -65.82 -46.32 79.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.547 -0.297 . . . . 1.98 110.988 -178.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.702 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 mp -64.05 -36.71 84.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.67 -0.241 . . . . 0.69999999999999996 110.501 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.77 -50.95 70.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 1.4099999999999999 110.687 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.84 -34.06 68.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.489 -0.323 . . . . 1.98 110.784 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.47 -37.64 81.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 1.9199999999999999 110.536 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 46' ' ' LEU . 66.9 mt -66.79 -43.44 83.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 1.22 110.422 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.87 -26.96 65.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 3.4900000000000002 110.955 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -89.72 -2.59 58.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.87 0.367 . . . . 2.6800000000000002 111.139 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.44 40.66 91.34 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.949 -0.569 . . . . 0.53000000000000003 112.815 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.78 -36.92 92.87 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.001 -0.619 . . . . 0.52000000000000002 112.598 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.84 178.34 4.5 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.231 -0.285 . . . . 0.82999999999999996 110.231 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.3 t -74.75 179.97 4.51 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.91 -0.404 . . . . 1.4199999999999999 109.91 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -63.44 -58.16 7.93 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.325 -0.235 . . . . 1.6299999999999999 111.558 -173.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.99 -38.42 88.53 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.34 0.591 . . . . 2.2000000000000002 110.722 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' B' ' 56' ' ' ALA . . . -63.49 -38.43 91.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.427 -0.806 . . . . 0.54000000000000004 110.596 177.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.501 ' HG3' HD22 ' A' ' 33' ' ' LEU . 51.6 tt0 -60.01 -47.92 83.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.573 -0.739 . . . . 1.5600000000000001 110.226 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 48' ' ' VAL . 36.6 mt-10 -62.58 -40.9 98.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.651 -0.704 . . . . 2.3599999999999999 110.221 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 43.4 m -61.46 -42.58 98.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.537 -0.756 . . . . 1.04 111.319 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 33' ' ' LEU . 18.9 mt -59.96 -43.75 94.86 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 121.16 -0.216 . . . . 1.28 110.806 177.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 41.4 tt0 -60.94 -42.15 97.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.308 -0.405 . . . . 1.76 110.882 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 44' ' ' GLU . 43.8 t -64.64 -40.94 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.006 0.431 . . . . 0.48999999999999999 109.849 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HB2' ' HB2' ' B' ' 52' ' ' CYS . . . -61.25 -42.19 98.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.776 -0.647 . . . . 0.47999999999999998 110.938 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 46' ' ' LEU . 71.4 mt -54.67 -51.8 47.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.062 -0.517 . . . . 0.60999999999999999 110.73 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 8.6 mm100 -63.19 -36.7 84.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.961 -0.563 . . . . 1.8400000000000001 110.596 -178.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' B' ' 45' ' ' SER . 72.9 m -68.11 -47.2 68.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.927 -0.579 . . . . 0.68999999999999995 110.871 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.47 -40.12 96.28 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.958 0.409 . . . . 0.76000000000000001 110.305 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.54 -51.47 69.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.623 -0.717 . . . . 1.6499999999999999 110.385 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 m -68.1 -30.99 70.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.037 -0.529 . . . . 1.1599999999999999 111.08 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.66 -61.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.976 -0.556 . . . . 1.1499999999999999 111.758 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 22' ' ' ALA . 86.7 m-85 -73.64 -13.06 60.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.981 0.42 . . . . 2.0499999999999998 111.283 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.29 35.95 60.0 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.741 -0.663 . . . . 2.6000000000000001 111.555 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.32 152.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.962 0.41 . . . . 1.3500000000000001 111.276 -175.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.9 p -139.48 -169.43 2.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.694 -0.684 . . . . 2.3799999999999999 109.792 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.8 -13.37 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.528 0.68 . . . . 2.21 110.346 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.12 -23.31 67.27 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.331 0.586 . . . . 4.0099999999999998 110.346 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.83 -18.98 61.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.329 -0.619 . . . . 3.6200000000000001 109.329 177.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 10.1 t -76.94 -27.4 54.84 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.775 -0.648 . . . . 2.9100000000000001 109.514 176.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.02 -38.39 90.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.778 -0.646 . . . . 3.46 109.978 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.44 19.99 14.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.879 -0.6 . . . . 1.8700000000000001 111.361 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.97 144.19 29.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.261 0.553 . . . . 1.53 112.286 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.538 HD12 HD21 ' A' ' 72' ' ' LEU . 96.1 mt -75.56 158.87 82.75 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.481 -0.781 . . . . 1.55 110.029 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.89 -47.03 12.3 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.111 2.54 . . . . 2.7400000000000002 113.253 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -121.78 157.83 30.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.862 -0.422 . . . . 2.75 109.862 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.52 140.44 42.77 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.409 0.623 . . . . 1.55 110.32 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.598 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.9 mm? -65.63 -42.73 57.65 Favored Pre-proline 0 C--O 1.22 -0.479 0 CA-C-N 115.069 -0.969 . . . . 1.79 113.152 -175.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HG2' ' HB2' ' A' ' 28' ' ' PHE . 65.5 Cg_exo -45.97 -34.58 12.92 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.365 2.044 . . . . 1.0700000000000001 113.983 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.97 -44.92 71.95 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.84 -0.43 . . . . 2.2799999999999998 109.84 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.63 -39.09 74.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.324 0.583 . . . . 1.3799999999999999 109.713 172.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.598 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 12.8 m-30 -62.11 -32.66 73.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.396 -0.82 . . . . 2.3599999999999999 110.208 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.643 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 62.0 mt-10 -76.4 -14.93 60.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.776 0.322 . . . . 2.52 111.255 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.32 -34.66 15.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.934 0.397 . . . . 0.65000000000000002 110.768 174.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.8 -51.52 5.05 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.299 0.481 . . . . 0.98999999999999999 112.299 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.439 ' HA ' HD11 ' B' ' 72' ' ' LEU . . . -71.51 -9.58 58.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.065 0.394 . . . . 1.5600000000000001 112.065 -172.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.465 HG23 ' HB3' ' B' ' 17' ' ' ASN . 0.8 OUTLIER -73.98 -19.0 60.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.954 0.407 . . . . 2.3300000000000001 110.533 174.337 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.37 109.31 0.91 Allowed Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.846 -0.616 . . . . 2.5899999999999999 111.864 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.92 -0.77 . . . . 4.4100000000000001 108.92 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.663 0.268 . . . . 3.6800000000000002 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.59 127.49 32.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.408 -0.36 . . . . 2.4199999999999999 110.501 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.643 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 13.0 p-10 -85.01 -14.06 48.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.26 -0.427 . . . . 2.52 110.285 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -57.76 -48.84 78.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.799 -0.637 . . . . 1.8899999999999999 110.996 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -63.0 -46.59 86.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.444 . . . . 1.49 111.439 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.84 -34.77 79.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.194 0.521 . . . . 2.3399999999999999 110.622 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 tp -58.08 -51.49 69.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.363 -0.835 . . . . 0.69999999999999996 110.05 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.457 ' O ' HG13 ' B' ' 26' ' ' ILE . . . -64.08 -48.55 75.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.787 -0.642 . . . . 0.82999999999999996 110.848 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 8.1 t80 -52.58 -52.86 53.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 2.9900000000000002 112.034 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.28 83.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.831 0.348 . . . . 1.1399999999999999 111.187 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.4 mt -69.91 -39.13 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.016 -0.538 . . . . 0.96999999999999997 110.328 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 22' ' ' ALA . 49.6 mt -54.78 -55.84 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.272 -0.422 . . . . 0.78000000000000003 111.115 175.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.36 -44.76 93.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.125 -0.489 . . . . 1.5800000000000001 111.768 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.4 ' HB2' ' HG2' ' B' ' 73' ' ' PRO . 85.7 t80 -65.9 -46.11 79.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.532 -0.303 . . . . 1.98 111.091 -178.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.7 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 8.3 mp -64.23 -36.75 85.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.602 -0.272 . . . . 0.69999999999999996 110.483 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.76 -50.99 70.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.336 -0.393 . . . . 1.4099999999999999 110.625 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.81 -33.95 68.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 1.98 110.769 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.5 -37.68 81.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 1.9299999999999999 110.516 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' B' ' 46' ' ' LEU . 66.7 mt -66.79 -43.33 84.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 1.22 110.405 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.99 -26.93 65.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.884 -0.598 . . . . 3.5 110.955 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -89.59 -2.86 58.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.832 0.349 . . . . 2.6899999999999999 111.112 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.83 40.37 89.55 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.115 -0.564 . . . . 0.53000000000000003 112.73 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.59 -36.99 93.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.024 -0.608 . . . . 0.53000000000000003 112.536 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.91 178.21 4.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.157 -0.312 . . . . 0.82999999999999996 110.157 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -74.75 179.94 4.52 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.965 -0.383 . . . . 1.4199999999999999 109.965 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 20.9 t -63.39 -57.92 8.76 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.688 0.255 . . . . 1.6299999999999999 111.688 -173.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.31 -38.54 89.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.234 0.54 . . . . 2.21 110.618 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.31 90.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.579 -0.737 . . . . 0.54000000000000004 110.636 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.51 ' HG3' HD22 ' B' ' 33' ' ' LEU . 51.5 tt0 -60.08 -47.75 84.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.515 -0.766 . . . . 1.5700000000000001 110.332 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.405 ' O ' HG23 ' B' ' 48' ' ' VAL . 36.1 mt-10 -62.56 -41.02 98.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.635 -0.712 . . . . 2.3599999999999999 110.249 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 46.3 m -61.5 -42.63 99.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.464 -0.789 . . . . 1.04 111.266 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.741 ' HB2' HD21 ' B' ' 33' ' ' LEU . 18.7 mt -59.99 -43.64 95.03 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 121.229 -0.189 . . . . 1.28 110.748 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 41.1 tt0 -61.22 -42.05 97.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.307 -0.406 . . . . 1.75 110.821 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 44' ' ' GLU . 43.9 t -64.54 -41.07 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.025 0.441 . . . . 0.48999999999999999 109.835 176.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 52' ' ' CYS . . . -61.24 -42.14 98.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.813 -0.631 . . . . 0.47999999999999998 110.934 177.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 46' ' ' LEU . 71.5 mt -54.7 -51.86 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.62 110.688 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 8.6 mm100 -63.18 -36.57 84.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 1.8400000000000001 110.693 -177.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 45' ' ' SER . 72.1 m -68.24 -47.24 68.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.905 -0.589 . . . . 0.68999999999999995 110.84 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 0.76000000000000001 110.302 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.32 -51.55 69.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.638 -0.71 . . . . 1.6599999999999999 110.48 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.9 m -68.05 -30.99 70.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.999 -0.546 . . . . 1.1499999999999999 110.986 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . . . -69.82 -61.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.992 -0.549 . . . . 1.1399999999999999 111.751 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' B' ' 22' ' ' ALA . 86.2 m-85 -73.77 -12.79 60.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.928 0.394 . . . . 2.0600000000000001 111.239 -177.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.07 35.99 60.77 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.806 -0.634 . . . . 2.6000000000000001 111.544 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.23 152.74 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.003 0.43 . . . . 1.3500000000000001 111.228 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.2 p -139.91 -170.8 3.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.632 -0.713 . . . . 2.3799999999999999 109.692 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.68 -13.63 15.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.52 0.676 . . . . 2.21 110.471 175.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.0 -23.38 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.295 0.569 . . . . 4.0 110.407 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.8 -18.81 61.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.842 -0.617 . . . . 3.6200000000000001 109.371 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.425 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 9.5 t -77.09 -27.5 54.2 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.814 -0.63 . . . . 2.9199999999999999 109.474 175.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.84 -38.32 90.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.882 -0.599 . . . . 3.46 110.015 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.58 19.98 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.841 -0.618 . . . . 1.8700000000000001 111.481 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.01 144.05 30.15 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.107 -0.497 . . . . 1.54 112.203 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.526 HD12 HD21 ' B' ' 72' ' ' LEU . 96.1 mt -75.48 158.95 82.85 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.539 -0.755 . . . . 1.5600000000000001 110.101 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -44.91 -47.07 12.3 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.097 2.532 . . . . 2.75 113.302 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -121.82 157.92 30.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.905 -0.406 . . . . 2.7599999999999998 109.905 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.49 143.83 42.35 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.52 0.676 . . . . 1.55 109.835 176.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.613 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 2.9 mm? -68.56 -42.41 26.66 Favored Pre-proline 0 C--O 1.219 -0.552 0 CA-C-N 115.072 -0.967 . . . . 1.79 112.877 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' B' ' 28' ' ' PHE . 64.6 Cg_exo -45.85 -34.59 12.48 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.405 2.07 . . . . 1.0600000000000001 113.951 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.08 -44.96 71.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.993 0.425 . . . . 2.27 109.876 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.58 -38.98 74.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.373 0.606 . . . . 1.3700000000000001 109.715 172.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 12.9 m-30 -62.27 -32.64 73.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.462 -0.79 . . . . 2.3700000000000001 110.193 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.637 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 59.8 mt-10 -76.0 -16.53 59.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.967 0.413 . . . . 2.5099999999999998 111.15 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.2 -36.11 16.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.046 0.45 . . . . 0.64000000000000001 111.006 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.56 -52.04 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.512 0.56 . . . . 0.98999999999999999 112.512 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.427 ' HA ' HD11 ' A' ' 72' ' ' LEU . . . -70.26 -11.66 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.144 0.424 . . . . 1.55 112.144 -173.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.439 HG23 ' HB3' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -72.57 -18.9 61.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.927 0.394 . . . . 2.3300000000000001 110.84 174.571 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.3 109.57 0.93 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.91 -0.586 . . . . 2.5899999999999999 111.739 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 N-CA-C 109.002 -0.74 . . . . 4.4000000000000004 109.002 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.556 ' OD1' ' HG3' ' A' ' 19' ' ' LYS . 13.5 t70 . . . . . 0 CA--C 1.524 -0.053 0 CA-C-O 120.836 0.35 . . . . 2.3999999999999999 110.288 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -76.18 -27.47 56.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.478 -0.328 . . . . 2.52 111.417 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -58.48 -55.63 32.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.332 -0.394 . . . . 1.8999999999999999 111.261 -174.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.556 ' HG3' ' OD1' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -71.16 -22.79 62.0 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.768 -0.373 . . . . 1.49 111.143 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 83.3 mtm180 -75.69 -34.63 60.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.956 0.408 . . . . 2.3399999999999999 110.583 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.662 ' HB2' ' CD2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -65.76 -35.41 80.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.869 -0.605 . . . . 0.69999999999999996 109.611 178.583 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.42 -61.3 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.779 -0.646 . . . . 0.82999999999999996 111.892 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 20' ' ' ARG . 7.9 p90 -64.27 -34.44 78.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.914 0.388 . . . . 2.9900000000000002 110.686 -174.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.51 98.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.784 -0.643 . . . . 1.1399999999999999 110.787 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.2 mt -67.75 -41.8 85.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.96999999999999997 110.031 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 50' ' ' ILE . 67.6 mt -54.53 -56.05 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.78000000000000003 111.719 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.44 -41.91 94.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 1.5800000000000001 111.122 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.46 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 78.8 t80 -66.19 -45.09 82.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 1.98 110.227 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 5.4 mp -65.78 -27.46 68.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.69999999999999996 111.082 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.69 -46.06 63.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.93 0.395 . . . . 1.4099999999999999 110.317 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.91 -44.93 87.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 1.98 109.967 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -61.01 -33.08 72.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.919 -1.037 . . . . 1.9199999999999999 110.995 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.3 -50.07 69.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 1.22 109.691 178.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -69.29 -25.3 64.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 3.4900000000000002 110.929 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -83.24 -3.28 57.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.975 0.417 . . . . 2.6800000000000002 111.438 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.35 39.92 98.33 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.901 -0.591 . . . . 0.53000000000000003 112.784 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.03 -46.76 93.38 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.894 -0.669 . . . . 0.52000000000000002 112.349 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.461 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 3.9 mm? -93.23 177.01 6.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.28 -0.267 . . . . 0.82999999999999996 110.28 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 t -75.69 173.71 10.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.171 -0.307 . . . . 1.4199999999999999 110.171 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -58.37 -53.01 63.14 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 111.599 0.222 . . . . 1.6299999999999999 111.599 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -64.31 -39.6 94.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.159 0.504 . . . . 2.2000000000000002 110.477 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 38' ' ' LEU . . . -64.28 -37.68 88.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.56 -0.745 . . . . 0.54000000000000004 110.781 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.519 ' O ' HD21 ' A' ' 33' ' ' LEU . 34.4 mt-30 -57.44 -59.82 4.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.928 -0.578 . . . . 1.5600000000000001 110.752 175.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -46.83 -44.49 19.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.192 -0.913 . . . . 2.3599999999999999 111.001 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -64.77 -33.71 76.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.805 -0.634 . . . . 1.04 111.257 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.486 HD12 HD23 ' A' ' 33' ' ' LEU . 27.3 mt -63.58 -46.34 86.3 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 121.155 -0.218 . . . . 1.28 110.528 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.44 -38.77 88.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 1.76 110.6 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.98 -48.55 85.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.48999999999999999 110.064 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.86 89.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.93 -0.577 . . . . 0.47999999999999998 111.066 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 26' ' ' ILE . 34.5 mt -55.0 -53.47 33.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.60999999999999999 111.132 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -64.74 -33.91 77.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 1.8400000000000001 111.133 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 79.8 m -67.87 -47.62 68.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.37 -0.377 . . . . 0.68999999999999995 110.711 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.55 -42.05 98.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.876 0.37 . . . . 0.76000000000000001 110.493 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.1 -52.23 66.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.569 -0.741 . . . . 1.6499999999999999 110.404 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 m -68.23 -34.26 75.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.746 -0.661 . . . . 1.1599999999999999 111.231 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 -55.65 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 1.1499999999999999 111.799 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.49 -4.95 48.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 2.0499999999999998 111.393 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.09 24.4 73.79 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.047 -0.597 . . . . 2.6000000000000001 112.117 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 19' ' ' LYS . 18.6 m -98.4 159.46 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.578 0.228 . . . . 1.3500000000000001 110.691 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.6 p -141.11 -170.0 2.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.176 -0.466 . . . . 2.3799999999999999 110.15 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.436 ' O ' ' HB3' ' A' ' 64' ' ' SER . 12.6 p -64.28 -20.37 26.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.266 0.555 . . . . 2.21 110.711 175.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -63.64 -37.63 88.06 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.482 0.658 . . . . 4.0099999999999998 110.125 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.443 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 7.1 m-20 -68.46 -22.0 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 3.6200000000000001 110.072 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 40.3 t -72.33 -25.44 61.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.173 -0.467 . . . . 2.9100000000000001 109.881 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.58 -37.23 79.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 3.46 110.429 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.8 pp -83.77 29.61 0.53 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.127 0.489 . . . . 1.8700000000000001 111.111 177.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -50.96 143.24 10.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.687 -0.688 . . . . 1.53 112.417 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.635 HD12 HD11 ' A' ' 72' ' ' LEU . 92.5 mt -81.35 161.72 61.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.332 -0.849 . . . . 1.55 110.496 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -47.75 -50.17 12.14 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.993 2.462 . . . . 2.7400000000000002 113.256 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -116.75 160.18 21.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.022 -0.362 . . . . 2.75 110.022 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.9 p -72.99 142.48 47.75 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.474 0.654 . . . . 1.55 109.872 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.635 HD11 HD12 ' A' ' 68' ' ' LEU . 10.8 mp -77.35 -37.17 1.62 Allowed Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.561 -0.745 . . . . 1.79 113.0 -172.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.466 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 81.5 Cg_exo -53.12 -31.27 53.93 Favored 'Trans proline' 0 C--N 1.348 0.516 0 CA-C-N 120.325 1.152 . . . . 1.0700000000000001 111.741 168.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -74.08 -35.77 64.24 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.158 -0.474 . . . . 2.2799999999999998 109.865 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.622 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 8.2 mm -53.26 -49.39 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.9 -0.591 . . . . 1.3799999999999999 109.787 169.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.672 ' CD2' ' HB2' ' B' ' 21' ' ' LEU . 0.8 OUTLIER -61.85 -46.65 88.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.404 -0.817 . . . . 2.3599999999999999 111.477 -179.705 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.48 ' O ' ' HB ' ' A' ' 81' ' ' THR . 45.4 mt-10 -61.23 -21.66 64.07 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.955 -0.298 . . . . 2.52 111.213 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.88 -64.65 1.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.4 -0.364 . . . . 0.65000000000000002 111.494 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.58 -47.03 18.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.159 0.504 . . . . 0.98999999999999999 111.875 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.461 ' HB1' ' HG ' ' B' ' 72' ' ' LEU . . . -81.66 -1.14 45.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.613 -0.721 . . . . 1.5600000000000001 112.236 -171.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 77' ' ' GLU . 6.3 t -70.28 -3.12 15.66 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.369 0.507 . . . . 2.3300000000000001 112.369 -174.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.96 51.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 119.544 -1.313 . . . . 2.5899999999999999 114.124 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.493 -0.765 . . . . 4.4100000000000001 110.464 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 85.4 mmm . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.955 0.407 . . . . 3.6800000000000002 110.455 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.566 ' OD1' ' HG3' ' B' ' 19' ' ' LYS . 13.5 t70 -78.45 119.06 21.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 2.4199999999999999 110.229 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -76.28 -27.53 56.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.534 -0.303 . . . . 2.52 111.374 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -58.56 -55.68 31.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.406 -0.361 . . . . 1.8899999999999999 111.267 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.566 ' HG3' ' OD1' ' B' ' 16' ' ' ASP . 0.1 OUTLIER -70.86 -23.05 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.706 -0.398 . . . . 1.49 111.175 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' B' ' 23' ' ' TYR . 83.3 mtm180 -75.55 -34.65 60.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.408 . . . . 2.3399999999999999 110.554 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.672 ' HB2' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -65.75 -35.32 80.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.905 -0.589 . . . . 0.69999999999999996 109.638 178.603 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.46 -61.3 2.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.74 -0.663 . . . . 0.82999999999999996 111.927 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.533 ' CE2' ' HA ' ' B' ' 20' ' ' ARG . 8.0 p90 -64.2 -34.49 78.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.986 0.422 . . . . 2.9900000000000002 110.709 -174.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.64 98.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.722 -0.672 . . . . 1.1399999999999999 110.845 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.0 mt -67.69 -41.83 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.96999999999999997 110.006 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.617 HG23 HG23 ' B' ' 50' ' ' ILE . 67.2 mt -54.56 -55.86 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.78000000000000003 111.718 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -60.72 -41.75 95.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 1.5800000000000001 111.116 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.468 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 79.0 t80 -66.15 -45.07 82.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.125 -0.489 . . . . 1.98 110.294 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 5.4 mp -65.77 -27.5 68.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.69999999999999996 111.167 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -70.81 -46.08 63.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.88 0.371 . . . . 1.4099999999999999 110.175 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.85 -44.77 88.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.504 0.669 . . . . 1.98 110.074 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -61.11 -33.06 72.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.948 -1.024 . . . . 1.9299999999999999 111.001 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.4 OUTLIER -64.33 -49.9 69.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.82 -0.627 . . . . 1.22 109.692 178.858 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -69.26 -25.67 64.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 3.5 110.803 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -83.01 -3.3 57.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.886 0.374 . . . . 2.6899999999999999 111.409 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.56 39.71 97.92 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.53000000000000003 112.731 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.08 -46.56 93.77 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.895 -0.669 . . . . 0.53000000000000003 112.272 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' B' ' 42' ' ' ALA . 3.8 mm? -93.48 177.17 6.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.258 -0.275 . . . . 0.82999999999999996 110.258 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.6 t -75.82 173.71 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.098 -0.334 . . . . 1.4199999999999999 110.098 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -58.69 -52.71 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.622 0.248 . . . . 1.6299999999999999 111.588 -173.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.35 -39.5 94.01 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.184 0.516 . . . . 2.21 110.576 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' B' ' 38' ' ' LEU . . . -64.23 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 0.54000000000000004 110.769 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.517 ' O ' HD21 ' B' ' 33' ' ' LEU . 34.5 mt-30 -57.36 -59.79 4.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 1.5700000000000001 110.788 175.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -46.93 -44.41 19.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.287 -0.869 . . . . 2.3599999999999999 110.981 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.0 t -64.87 -33.65 76.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.799 -0.637 . . . . 1.04 111.239 -178.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.5 HD12 HD23 ' B' ' 33' ' ' LEU . 27.6 mt -63.59 -46.22 86.83 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 121.155 -0.218 . . . . 1.28 110.603 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.63 -38.48 87.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.951 0.405 . . . . 1.75 110.634 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 51.3 t -64.15 -48.6 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.48999999999999999 110.085 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.69 -38.93 89.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.869 -0.605 . . . . 0.47999999999999998 111.171 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.617 HG23 HG23 ' B' ' 26' ' ' ILE . 34.8 mt -55.0 -53.25 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 0.62 111.187 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -65.07 -33.77 76.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.445 -0.343 . . . . 1.8400000000000001 111.081 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -67.9 -47.72 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.404 -0.362 . . . . 0.68999999999999995 110.698 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.39 -42.08 98.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.76000000000000001 110.443 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.06 -52.24 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 1.6599999999999999 110.338 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 9.4 m -68.42 -34.05 75.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.772 -0.649 . . . . 1.1499999999999999 111.211 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.93 17.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 1.1399999999999999 111.641 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.21 -5.13 48.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.899 0.38 . . . . 2.0600000000000001 111.505 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.02 24.69 73.23 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.987 -0.625 . . . . 2.6000000000000001 112.078 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' B' ' 19' ' ' LYS . 18.8 m -98.69 159.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.695 0.283 . . . . 1.3500000000000001 110.779 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 38.2 p -141.14 -171.12 3.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.127 -0.488 . . . . 2.3799999999999999 110.013 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' B' ' 64' ' ' SER . 12.4 p -63.54 -20.49 26.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.147 0.498 . . . . 2.21 110.667 175.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -63.46 -37.85 88.88 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.538 0.685 . . . . 4.0 110.162 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.455 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 7.0 m-20 -68.27 -22.07 64.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.672 -0.695 . . . . 3.6200000000000001 110.114 177.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' B' ' 61' ' ' VAL . 38.9 t -72.27 -25.39 61.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.082 -0.508 . . . . 2.9199999999999999 109.871 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -68.59 -37.08 79.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 3.46 110.402 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.8 pp -83.23 27.63 0.56 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.037 0.446 . . . . 1.8700000000000001 111.298 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.454 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -49.73 143.1 7.71 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.728 -0.669 . . . . 1.54 112.604 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.649 HD12 HD11 ' B' ' 72' ' ' LEU . 92.6 mt -81.38 161.65 61.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.523 -0.762 . . . . 1.5600000000000001 110.55 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -47.86 -49.67 13.25 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.977 2.451 . . . . 2.75 113.331 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -117.0 160.22 21.29 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.851 -0.426 . . . . 2.7599999999999998 109.851 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 32.9 p -73.04 144.78 47.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.39 0.614 . . . . 1.55 109.505 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.649 HD11 HD12 ' B' ' 68' ' ' LEU . 10.9 mp -79.2 -37.12 1.19 Allowed Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.547 -0.751 . . . . 1.79 112.902 -172.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.468 ' HG2' ' CB ' ' B' ' 28' ' ' PHE . 81.8 Cg_exo -53.14 -31.36 54.51 Favored 'Trans proline' 0 C--N 1.347 0.481 0 CA-C-N 120.167 1.095 . . . . 1.0600000000000001 111.613 168.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.92 -35.84 64.64 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.195 -0.457 . . . . 2.27 109.81 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.635 ' HB ' ' O ' ' B' ' 72' ' ' LEU . 8.2 mm -53.25 -49.29 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.916 -0.584 . . . . 1.3700000000000001 109.799 169.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.662 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -61.92 -46.75 87.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.293 -0.867 . . . . 2.3700000000000001 111.518 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.491 ' O ' ' HB ' ' B' ' 81' ' ' THR . 45.2 mt-10 -60.9 -22.91 64.8 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.91 -0.316 . . . . 2.5099999999999998 111.012 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.23 -64.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.945 0.403 . . . . 0.64000000000000001 111.846 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.76 -47.46 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.421 0.629 . . . . 0.98999999999999999 111.934 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.454 ' HB1' ' HG ' ' A' ' 72' ' ' LEU . . . -78.08 -7.65 57.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.213 -0.903 . . . . 1.55 112.217 -172.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' B' ' 77' ' ' GLU . 6.2 t -67.48 -2.23 6.13 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.548 0.573 . . . . 2.3300000000000001 112.548 -172.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.78 51.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 119.541 -1.314 . . . . 2.5899999999999999 113.985 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.372 -0.823 . . . . 4.4000000000000004 110.406 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 120.646 0.26 . . . . 2.3999999999999999 110.308 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -81.78 -6.35 58.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.959 0.409 . . . . 2.52 109.909 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -62.72 -46.46 88.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 1.8999999999999999 110.767 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 20' ' ' ARG . 12.9 ptpt -65.96 -34.64 78.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 1.49 110.418 178.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.613 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 95.5 mtt180 -71.18 -37.24 72.18 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.602 -0.726 . . . . 2.3399999999999999 109.791 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' B' ' 76' ' ' PHE . 8.7 tp -55.83 -47.52 77.08 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.958 -1.019 . . . . 0.69999999999999996 110.121 172.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.1 -60.23 3.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.876 -0.602 . . . . 0.82999999999999996 112.51 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.613 ' CD2' ' HA ' ' A' ' 20' ' ' ARG . 1.8 p90 -64.07 -37.96 89.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.762 0.315 . . . . 2.9900000000000002 110.966 -172.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 1.1399999999999999 110.657 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.424 HG23 HD13 ' A' ' 29' ' ' LEU . 23.4 mt -64.2 -43.97 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.96999999999999997 109.879 173.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.12 -46.35 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.78000000000000003 111.028 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 27.1 mm-40 -56.35 -52.07 65.94 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.898 0.38 . . . . 1.5800000000000001 110.903 -178.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.44 -47.86 58.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.977 -0.556 . . . . 1.98 111.298 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.55 HD23 HD11 ' A' ' 46' ' ' LEU . 8.8 mp -65.21 -28.79 69.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.761 0.282 . . . . 0.69999999999999996 111.761 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -67.09 -43.59 82.18 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.945 -0.391 . . . . 1.4099999999999999 109.945 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.72 -45.59 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 1.98 109.91 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.418 ' HG2' ' HA3' ' A' ' 37' ' ' GLY . 0.8 OUTLIER -59.45 -38.55 81.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.306 -0.861 . . . . 1.9199999999999999 111.054 178.008 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.31 -45.99 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.625 -0.509 . . . . 1.22 109.625 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -68.59 -34.95 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.784 -0.644 . . . . 3.4900000000000002 110.559 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -73.28 -35.81 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.657 -0.702 . . . . 2.6800000000000002 111.458 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.77 43.69 2.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.918 -0.658 . . . . 0.53000000000000003 112.214 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.418 ' HA3' ' HG2' ' A' ' 32' ' ' GLN . . . -65.18 -65.66 2.82 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.004 -0.617 . . . . 0.52000000000000002 112.855 -177.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.88 -174.78 5.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.7 0.286 . . . . 0.82999999999999996 111.191 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.8 m -77.24 177.87 7.55 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.89 0.329 . . . . 1.4199999999999999 111.89 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 p -59.6 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.6299999999999999 112.047 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.49 -32.67 72.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.296 0.57 . . . . 2.2000000000000002 110.683 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.86 65.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.455 -0.793 . . . . 0.54000000000000004 110.707 177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -52.37 -60.26 3.44 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.266 0.626 . . . . 1.5600000000000001 112.621 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.5 pt-20 -53.51 -44.52 69.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.845 0.313 . . . . 2.3599999999999999 111.845 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.6 m -65.71 -34.72 78.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.579 0.705 . . . . 1.04 110.151 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.55 HD11 HD23 ' A' ' 29' ' ' LEU . 21.8 tp -70.23 -35.41 73.82 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.069 -0.968 . . . . 1.28 110.763 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.13 -39.02 92.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.116 0.484 . . . . 1.76 109.802 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 44' ' ' GLU . 54.5 t -62.75 -42.53 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.65 . . . . 0.48999999999999999 109.725 175.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' B' ' 52' ' ' CYS . . . -56.78 -40.71 76.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.743 -0.662 . . . . 0.47999999999999998 111.252 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 46' ' ' LEU . 70.7 mt -55.48 -52.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.60999999999999999 110.922 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.82 -27.73 65.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 1.8400000000000001 111.461 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.433 ' CB ' ' HB2' ' B' ' 49' ' ' ALA . 70.7 m -70.79 -45.74 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.017 -0.273 . . . . 0.68999999999999995 110.471 177.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.27 -41.94 99.06 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.663 -0.495 . . . . 0.76000000000000001 109.663 175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -50.07 -56.07 12.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.756 -1.111 . . . . 1.6499999999999999 110.615 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.0 m -69.55 -35.26 75.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.436 -0.802 . . . . 1.1599999999999999 111.527 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.0 -56.61 13.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 1.1499999999999999 112.059 -176.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -80.13 -5.51 56.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.892 0.377 . . . . 2.0499999999999998 111.192 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.49 32.86 71.65 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.036 -0.602 . . . . 2.6000000000000001 111.752 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -104.6 148.4 9.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.028 0.442 . . . . 1.3500000000000001 111.021 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.0 p -137.94 -168.45 2.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.634 -0.712 . . . . 2.3799999999999999 110.251 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.02 -21.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.988 0.423 . . . . 2.21 110.473 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -63.82 -42.56 97.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.56 0.695 . . . . 4.0099999999999998 109.711 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -73.32 -15.27 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.604 -0.725 . . . . 3.6200000000000001 110.148 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 15.7 m -86.9 -11.95 49.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.707 -0.679 . . . . 2.9100000000000001 109.842 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 67' ' ' ALA . 27.2 t70 -81.7 -32.08 31.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 3.46 110.282 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -80.15 28.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.2 0.524 . . . . 1.8700000000000001 110.533 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -49.83 133.29 22.06 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.102 -0.954 . . . . 1.53 112.58 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.9 mt -73.37 158.53 86.52 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 114.726 -1.124 . . . . 1.55 110.125 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -40.55 -46.84 4.55 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.47 2.78 . . . . 2.7400000000000002 113.596 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -128.76 153.34 47.47 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.698 -0.482 . . . . 2.75 109.698 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.85 139.97 57.78 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.576 0.703 . . . . 1.55 110.911 177.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.829 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 37.3 mt -71.74 -35.13 3.46 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 113.994 1.109 . . . . 1.79 113.994 -170.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -50.49 -30.58 28.1 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.497 1.464 . . . . 1.0700000000000001 112.731 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.26 -38.86 63.32 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.725 0.298 . . . . 2.2799999999999998 110.345 176.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 20.8 mm -54.19 -48.09 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 121.286 0.565 . . . . 1.3799999999999999 109.915 173.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.823 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 0.4 OUTLIER -63.63 -40.09 96.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.337 -0.847 . . . . 2.3599999999999999 111.276 179.008 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.35 -29.99 70.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.267 0.555 . . . . 2.52 110.346 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.26 -52.44 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 0.65000000000000002 111.891 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.82 -44.19 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.681 0.623 . . . . 0.98999999999999999 112.681 -170.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.91 -9.76 59.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.302 0.482 . . . . 1.5600000000000001 112.302 -169.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -72.13 2.2 6.23 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.394 0.516 . . . . 2.3300000000000001 112.394 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.16 156.25 9.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.899 -0.667 . . . . 2.5899999999999999 112.358 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.778 -0.629 . . . . 4.4100000000000001 111.636 179.509 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.916 -0.402 . . . . 3.6800000000000002 109.916 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -73.86 115.82 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.318 -0.401 . . . . 2.4199999999999999 110.369 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -81.76 -6.55 59.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.093 0.473 . . . . 2.52 109.934 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -62.66 -46.56 87.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 1.8899999999999999 110.785 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' B' ' 20' ' ' ARG . 12.9 ptpt -65.87 -34.74 78.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.069 0.462 . . . . 1.49 110.339 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.606 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . 95.5 mtt180 -71.05 -37.34 72.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.683 -0.69 . . . . 2.3399999999999999 109.891 -178.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 76' ' ' PHE . 8.8 tp -55.68 -47.56 76.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.928 -1.033 . . . . 0.69999999999999996 110.143 172.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.2 -60.14 4.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.911 -0.586 . . . . 0.82999999999999996 112.53 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.606 ' CD2' ' HA ' ' B' ' 20' ' ' ARG . 1.9 p90 -64.11 -37.88 89.06 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.862 -0.335 . . . . 2.9900000000000002 110.936 -172.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.96 0.41 . . . . 1.1399999999999999 110.621 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.441 HG23 HD13 ' B' ' 29' ' ' LEU . 23.0 mt -64.24 -43.93 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.819 -0.628 . . . . 0.96999999999999997 109.857 173.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.13 -46.23 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.78000000000000003 111.085 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 27.8 mm-40 -56.41 -51.98 66.33 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.901 0.381 . . . . 1.5800000000000001 110.96 -178.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -70.48 -47.86 58.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.945 -0.57 . . . . 1.98 111.326 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.544 HD23 HD11 ' B' ' 46' ' ' LEU . 8.8 mp -65.36 -28.64 69.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.765 0.283 . . . . 0.69999999999999996 111.765 -176.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -67.16 -43.75 81.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.891 -0.411 . . . . 1.4099999999999999 109.891 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.73 -45.36 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 1.98 109.82 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.41 ' HG2' ' HA3' ' B' ' 37' ' ' GLY . 0.8 OUTLIER -59.62 -38.47 81.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.386 -0.825 . . . . 1.9299999999999999 111.06 177.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -63.37 -46.05 88.29 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.668 -0.493 . . . . 1.22 109.668 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -68.52 -35.25 77.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.68 . . . . 3.5 110.391 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -73.05 -35.93 66.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.84 -0.618 . . . . 2.6899999999999999 111.416 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.28 42.81 2.69 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.836 -0.697 . . . . 0.53000000000000003 112.258 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.41 ' HA3' ' HG2' ' B' ' 32' ' ' GLN . . . -64.72 -65.47 2.95 Favored Glycine 0 C--O 1.235 0.172 0 C-N-CA 121.009 -0.615 . . . . 0.53000000000000003 112.986 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 38' ' ' LEU . 4.2 mm? -81.95 -174.91 5.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.688 0.28 . . . . 0.82999999999999996 111.157 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 32.2 m -77.1 177.92 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.458 -0.337 . . . . 1.4199999999999999 111.891 -177.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.0 p -60.0 -63.66 1.22 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.322 -0.399 . . . . 1.6299999999999999 112.052 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.75 -32.83 73.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.189 0.519 . . . . 2.21 110.604 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.1 64.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.496 -0.774 . . . . 0.54000000000000004 110.827 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -52.21 -60.22 3.46 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 112.716 0.635 . . . . 1.5700000000000001 112.716 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 48' ' ' VAL . 9.5 pt-20 -53.61 -44.52 69.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.58 -0.282 . . . . 2.3599999999999999 111.728 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -65.76 -34.68 78.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.532 0.682 . . . . 1.04 110.092 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.544 HD11 HD23 ' B' ' 29' ' ' LEU . 22.0 tp -70.25 -35.45 73.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.143 -0.935 . . . . 1.28 110.658 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.09 -38.98 92.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.116 0.484 . . . . 1.75 109.806 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 44' ' ' GLU . 54.3 t -62.8 -42.47 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.797 -0.638 . . . . 0.48999999999999999 109.643 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' A' ' 52' ' ' CYS . . . -56.91 -40.64 76.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.761 -0.654 . . . . 0.47999999999999998 111.208 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.49 HG13 ' O ' ' B' ' 46' ' ' LEU . 70.8 mt -55.36 -52.86 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.62 110.993 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.75 -27.76 65.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 1.8400000000000001 111.577 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.423 ' CB ' ' HB2' ' A' ' 49' ' ' ALA . 70.9 m -70.76 -45.7 64.28 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.007 -0.277 . . . . 0.68999999999999995 110.509 177.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.32 -41.97 98.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.16 0.505 . . . . 0.76000000000000001 109.668 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -49.9 -56.02 12.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.762 -1.108 . . . . 1.6599999999999999 110.746 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 27.5 m -69.89 -34.73 73.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.32 -0.855 . . . . 1.1499999999999999 111.627 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.28 -56.6 13.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 1.1399999999999999 112.059 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -80.25 -5.44 56.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.81 0.338 . . . . 2.0600000000000001 111.183 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.73 32.52 70.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.902 -0.666 . . . . 2.6000000000000001 111.834 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -104.64 148.44 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.99 0.424 . . . . 1.3500000000000001 111.021 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 30.2 p -138.26 -170.26 2.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.532 -0.758 . . . . 2.3799999999999999 110.219 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.3 p -60.67 -21.12 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.931 0.396 . . . . 2.21 110.511 175.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -63.76 -42.47 97.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.524 0.678 . . . . 4.0 109.883 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -73.47 -15.23 61.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.585 -0.734 . . . . 3.6200000000000001 110.112 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 15.4 m -86.5 -12.68 48.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.708 -0.678 . . . . 2.9199999999999999 109.859 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' ALA . 27.3 t70 -81.17 -32.42 33.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.966 -0.561 . . . . 3.46 110.262 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.5 27.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.184 0.516 . . . . 1.8700000000000001 110.691 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.481 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -48.78 133.12 17.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.015 -0.993 . . . . 1.54 112.679 -176.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 63.4 mt -73.32 158.52 86.6 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 114.832 -1.076 . . . . 1.5600000000000001 110.042 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -40.64 -46.66 4.65 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.606 2.871 . . . . 2.75 113.699 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -128.61 154.47 46.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.604 -0.517 . . . . 2.7599999999999998 109.604 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.83 143.55 54.54 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.66 0.743 . . . . 1.55 110.128 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.823 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 37.1 mt -74.3 -35.01 2.11 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 114.95 -1.023 . . . . 1.79 113.654 -170.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -50.46 -30.56 27.81 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.47 1.447 . . . . 1.0600000000000001 112.746 171.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.31 -38.75 63.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.657 0.265 . . . . 2.27 110.375 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' B' ' 72' ' ' LEU . 20.8 mm -54.37 -48.02 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 121.273 0.558 . . . . 1.3700000000000001 109.912 173.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.829 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -63.62 -40.16 96.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.329 -0.851 . . . . 2.3700000000000001 111.211 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.36 -30.34 70.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.24 0.543 . . . . 2.5099999999999998 110.237 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.65 -52.47 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.835 -0.62 . . . . 0.64000000000000001 112.064 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.83 -44.51 10.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.812 0.671 . . . . 0.98999999999999999 112.812 -170.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.86 -11.67 60.91 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.325 0.491 . . . . 1.55 112.325 -169.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -70.71 1.8 4.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.625 0.602 . . . . 2.3300000000000001 112.625 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.38 156.08 9.64 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.777 -0.725 . . . . 2.5899999999999999 112.443 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.822 -0.609 . . . . 4.4000000000000004 111.717 179.553 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.067 0.46 . . . . 2.3999999999999999 111.381 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.549 HD21 ' HB3' ' B' ' 76' ' ' PHE . 2.4 t-20 -82.34 -41.98 19.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.358 -0.837 . . . . 2.52 111.077 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -62.38 -48.1 81.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.975 -0.557 . . . . 1.8999999999999999 111.812 -172.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -68.89 -28.22 66.49 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.786 -0.366 . . . . 1.49 111.313 -179.042 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.523 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 95.8 mtt180 -75.73 -36.22 59.99 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.761 -0.375 . . . . 2.3399999999999999 110.137 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.92 -45.17 91.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.58 -0.737 . . . . 0.69999999999999996 110.601 175.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -57.6 -65.96 0.55 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.82999999999999996 112.664 -176.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 3.2 p90 -62.95 -33.34 75.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 2.9900000000000002 110.626 -172.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB1' ' CG ' ' A' ' 72' ' ' LEU . . . -61.86 -42.47 99.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.662 -0.699 . . . . 1.1399999999999999 111.194 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 55.5 mt -68.56 -36.25 73.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.839 -0.619 . . . . 0.96999999999999997 109.923 175.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 23' ' ' TYR . 65.9 mt -58.82 -38.79 74.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.324 -0.398 . . . . 0.78000000000000003 110.193 174.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 14.5 mm100 -54.51 -52.09 63.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.349 0.595 . . . . 1.5800000000000001 110.638 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.489 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 66.2 t80 -69.22 -48.15 62.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.358 -0.837 . . . . 1.98 110.567 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.563 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 8.6 mp -61.16 -30.75 70.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.69999999999999996 111.753 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -59.92 -57.74 11.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.111 0.482 . . . . 1.4099999999999999 110.71 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -34.69 71.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.938 -0.574 . . . . 1.98 110.652 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -64.37 -32.87 74.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.768 -0.651 . . . . 1.9199999999999999 110.467 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -62.51 -54.15 44.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.622 -0.717 . . . . 1.22 109.599 178.664 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.502 -0.772 . . . . 3.4900000000000002 111.017 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -83.39 -15.17 50.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 2.6800000000000002 111.021 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.77 42.89 15.89 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.113 -0.565 . . . . 0.53000000000000003 112.42 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.5 -44.48 96.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.062 -0.59 . . . . 0.52000000000000002 112.988 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.42 HD23 HD11 ' A' ' 46' ' ' LEU . 4.3 mm? -100.04 -176.08 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.571 0.224 . . . . 0.82999999999999996 110.818 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -73.62 -176.84 2.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.378 -0.373 . . . . 1.4199999999999999 110.895 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 p -62.92 -60.92 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.001 0.371 . . . . 1.6299999999999999 112.001 -175.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.32 -37.56 85.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.291 0.567 . . . . 2.2000000000000002 110.444 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -60.99 -39.17 88.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.287 -0.869 . . . . 0.54000000000000004 110.929 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.541 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.9 tt0 -59.47 -53.6 56.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.713 -0.676 . . . . 1.5600000000000001 110.316 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -56.99 -34.22 67.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.024 -0.535 . . . . 2.3599999999999999 110.732 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -70.07 -27.46 64.64 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.698 -0.683 . . . . 1.04 111.232 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.601 ' HB2' HD23 ' A' ' 33' ' ' LEU . 55.7 mt -62.94 -49.46 74.66 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.774 -0.454 . . . . 1.28 109.774 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.63 -42.4 83.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 1.76 110.751 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.0 -48.89 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.48999999999999999 110.2 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.94 80.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.806 -0.634 . . . . 0.47999999999999998 111.367 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 46' ' ' LEU . 63.5 mt -55.57 -52.52 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.60999999999999999 110.525 176.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -64.9 -35.73 82.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 1.8400000000000001 110.57 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.1 m -66.02 -51.69 56.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.68999999999999995 110.973 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.458 HD11 HD11 ' B' ' 53' ' ' LEU . 28.6 mt -67.71 -35.73 79.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.392 0.139 . . . . 0.76000000000000001 111.209 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 28.4 tt0 -56.96 -50.45 72.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.186 0.517 . . . . 1.6499999999999999 109.684 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.7 m -72.11 -28.21 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.445 -0.798 . . . . 1.1599999999999999 111.249 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.55 ' HB1' HD23 ' B' ' 46' ' ' LEU . . . -74.54 -56.05 5.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.168 -0.469 . . . . 1.1499999999999999 112.015 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 46.6 m-85 -73.81 -12.61 60.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.955 0.407 . . . . 2.0499999999999998 111.033 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.14 34.99 31.56 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.815 -0.63 . . . . 2.6000000000000001 111.91 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.447 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 27.7 m -107.51 163.06 5.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.676 0.274 . . . . 1.3500000000000001 110.479 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.0 p -142.58 -172.48 3.64 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.007 -0.542 . . . . 2.3799999999999999 110.317 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 64' ' ' SER . 14.4 p -67.83 -18.68 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.214 0.531 . . . . 2.21 110.34 174.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.65 -39.4 80.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 4.0099999999999998 109.739 173.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -71.41 -20.02 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.585 -0.734 . . . . 3.6200000000000001 109.529 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 38.7 t -76.02 -23.55 55.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.319 -0.855 . . . . 2.9100000000000001 110.034 173.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.39 -34.85 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 3.46 110.733 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp -82.08 26.92 0.5 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.362 -0.381 . . . . 1.8700000000000001 111.364 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -52.19 133.19 34.02 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.986 0.735 . . . . 1.53 112.986 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.446 HD12 HD11 ' A' ' 72' ' ' LEU . 86.2 mt -67.39 145.37 98.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.359 -0.837 . . . . 1.55 110.333 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.22 -49.8 15.77 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.156 2.571 . . . . 2.7400000000000002 112.528 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -75.56 141.29 42.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.348 -0.842 . . . . 2.75 110.24 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.568 ' O ' HG12 ' A' ' 75' ' ' ILE . 2.3 p -76.36 135.09 39.51 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.541 -0.54 . . . . 1.55 109.541 174.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.446 HD11 HD12 ' A' ' 68' ' ' LEU . 3.8 mm? -81.36 -50.1 0.95 Allowed Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 113.562 0.949 . . . . 1.79 113.562 -165.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.555 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 68.5 Cg_exo -57.08 -28.91 81.08 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.046 1.164 . . . . 1.0700000000000001 111.955 172.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.75 -45.4 64.88 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.966 0.412 . . . . 2.2799999999999998 110.223 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 71' ' ' THR . 23.6 mm -58.34 -38.24 68.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.564 0.697 . . . . 1.3799999999999999 109.759 173.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.534 ' HB3' HD21 ' B' ' 17' ' ' ASN . 2.2 t80 -63.97 -31.35 72.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.046 -0.979 . . . . 2.3599999999999999 110.24 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 43.3 mt-10 -67.58 -42.86 81.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.095 0.474 . . . . 2.52 110.557 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.02 -51.64 15.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.073 -0.512 . . . . 0.65000000000000002 111.844 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.79 -64.23 1.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 0.98999999999999999 111.703 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.68 69.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.707 -0.678 . . . . 1.5600000000000001 111.922 -171.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 77' ' ' GLU . 3.7 m -95.75 -8.67 33.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.329 0.585 . . . . 2.3300000000000001 110.617 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.14 -36.27 6.03 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.877 -0.677 . . . . 2.5899999999999999 112.312 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HB3' HE22 ' B' ' 70' ' ' GLN . 28.8 tptp . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.384 -0.817 . . . . 4.4100000000000001 110.015 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.714 0.292 . . . . 3.6800000000000002 110.404 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -105.08 130.63 53.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.13 0.491 . . . . 2.4199999999999999 111.307 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.534 HD21 ' HB3' ' A' ' 76' ' ' PHE . 2.4 t-20 -82.52 -42.17 18.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.319 -0.855 . . . . 2.52 110.902 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' B' ' 18' ' ' LYS . 13.5 mptt -62.25 -48.1 81.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 1.8899999999999999 111.753 -172.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.523 ' HD3' ' N ' ' B' ' 20' ' ' ARG . 0.1 OUTLIER -68.94 -28.23 66.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.703 -0.399 . . . . 1.49 111.329 -178.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.523 ' N ' ' HD3' ' B' ' 19' ' ' LYS . 95.8 mtt180 -75.63 -36.32 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 2.3399999999999999 110.14 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.81 -45.21 90.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.587 -0.733 . . . . 0.69999999999999996 110.628 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.574 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -57.59 -66.05 0.53 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.82999999999999996 112.615 -176.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.567 ' OH ' ' HA ' ' B' ' 67' ' ' ALA . 3.2 p90 -62.84 -33.41 75.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 2.9900000000000002 110.623 -172.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.424 ' HB1' ' CG ' ' B' ' 72' ' ' LEU . . . -61.76 -42.61 99.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.575 -0.739 . . . . 1.1399999999999999 111.118 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 55.8 mt -68.56 -36.21 73.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.887 -0.597 . . . . 0.96999999999999997 109.935 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' B' ' 23' ' ' TYR . 65.8 mt -58.85 -38.84 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.307 -0.406 . . . . 0.78000000000000003 110.208 174.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 14.5 mm100 -54.32 -52.3 61.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.338 0.589 . . . . 1.5800000000000001 110.667 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.478 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 66.1 t80 -69.21 -47.99 63.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.314 -0.857 . . . . 1.98 110.605 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.549 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 8.6 mp -61.18 -30.79 70.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 0.69999999999999996 111.754 -178.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -59.86 -57.68 11.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.1 0.476 . . . . 1.4099999999999999 110.724 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -34.89 71.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.94 -0.573 . . . . 1.98 110.63 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -64.07 -33.02 74.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.725 -0.67 . . . . 1.9299999999999999 110.466 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' B' ' 46' ' ' LEU . 0.6 OUTLIER -62.5 -53.89 48.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.654 -0.703 . . . . 1.22 109.606 178.839 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -69.47 -25.65 64.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.479 -0.782 . . . . 3.5 110.909 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -83.81 -14.82 50.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.867 0.365 . . . . 2.6899999999999999 111.099 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.82 42.29 17.13 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.971 -0.633 . . . . 0.53000000000000003 112.449 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.97 -44.97 96.6 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.96 -0.638 . . . . 0.53000000000000003 113.015 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.416 HD23 HD11 ' B' ' 46' ' ' LEU . 4.3 mm? -99.57 -176.08 3.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.613 0.244 . . . . 0.82999999999999996 110.84 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -73.58 -177.02 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 1.4199999999999999 110.799 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.0 p -62.64 -61.19 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.045 0.387 . . . . 1.6299999999999999 112.045 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -66.04 -37.6 86.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.27 0.557 . . . . 2.21 110.478 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -61.03 -39.05 88.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.385 -0.825 . . . . 0.54000000000000004 110.97 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.551 ' O ' HD21 ' B' ' 33' ' ' LEU . 8.9 tt0 -59.54 -53.69 55.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.657 -0.701 . . . . 1.5700000000000001 110.299 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -56.93 -34.03 67.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 2.3599999999999999 110.785 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -70.42 -27.31 64.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.706 -0.679 . . . . 1.04 111.155 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.582 ' HB2' HD23 ' B' ' 33' ' ' LEU . 56.3 mt -62.93 -49.57 74.25 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.847 -0.427 . . . . 1.28 109.847 176.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.73 -42.28 83.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.791 -0.64 . . . . 1.75 110.818 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.01 -48.84 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.48999999999999999 110.216 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.92 80.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.636 . . . . 0.47999999999999998 111.386 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.444 HG13 ' O ' ' B' ' 46' ' ' LEU . 63.5 mt -55.64 -52.42 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.62 110.565 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -64.87 -36.04 83.06 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.163 -0.471 . . . . 1.8400000000000001 110.426 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 83.3 m -65.76 -51.83 55.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.68999999999999995 110.984 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.458 HD11 HD11 ' A' ' 53' ' ' LEU . 29.0 mt -67.62 -35.65 79.33 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.348 -0.141 . . . . 0.76000000000000001 111.248 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 28.7 tt0 -56.98 -50.46 72.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.267 0.555 . . . . 1.6599999999999999 109.682 177.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.9 m -72.18 -28.2 63.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.413 -0.812 . . . . 1.1499999999999999 111.263 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.546 ' HB1' HD23 ' A' ' 46' ' ' LEU . . . -74.66 -56.02 5.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 1.1399999999999999 111.972 -176.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 47.3 m-85 -73.68 -12.77 60.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.846 0.355 . . . . 2.0600000000000001 111.085 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.17 35.19 30.95 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.993 -0.622 . . . . 2.6000000000000001 111.909 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 28.2 m -107.7 162.41 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.747 0.308 . . . . 1.3500000000000001 110.368 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -141.68 -172.28 3.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.784 -0.644 . . . . 2.3799999999999999 110.424 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' B' ' 64' ' ' SER . 14.3 p -68.05 -18.44 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.27 0.557 . . . . 2.21 110.317 174.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.71 -39.39 80.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 4.0 109.761 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.28 -20.06 62.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.538 -0.755 . . . . 3.6200000000000001 109.657 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.488 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 38.4 t -76.01 -23.38 55.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.387 -0.824 . . . . 2.9199999999999999 110.074 173.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.64 -34.73 67.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 3.46 110.775 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -81.83 26.34 0.51 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.311 -0.404 . . . . 1.8700000000000001 111.45 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.567 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -51.85 133.01 32.29 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.012 0.745 . . . . 1.54 113.012 -176.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.45 HD12 HD11 ' B' ' 72' ' ' LEU . 86.0 mt -67.28 145.46 98.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.22 -0.9 . . . . 1.5600000000000001 110.29 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.57 -49.33 17.22 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 123.06 2.507 . . . . 2.75 112.667 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLN . . . . . 0.476 HE22 ' HB3' ' A' ' 83' ' ' LYS . 22.1 pt20 -75.92 141.75 42.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.359 -0.837 . . . . 2.7599999999999998 110.108 -177.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' THR . . . . . 0.615 ' O ' HG12 ' B' ' 75' ' ' ILE . 1.6 p -76.92 140.36 40.49 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.553 -0.906 . . . . 1.55 108.553 175.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.458 ' HB2' ' HD3' ' B' ' 73' ' ' PRO . 3.8 mm? -84.03 -50.76 0.62 Allowed Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 113.578 0.955 . . . . 1.79 113.578 -166.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.551 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 69.9 Cg_exo -56.98 -28.84 80.19 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 121.194 1.263 . . . . 1.0600000000000001 111.862 173.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.96 -45.27 64.41 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.886 0.374 . . . . 2.27 110.292 176.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.615 HG12 ' O ' ' B' ' 71' ' ' THR . 23.6 mm -58.28 -38.34 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 1.3700000000000001 109.884 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.549 ' HB3' HD21 ' A' ' 17' ' ' ASN . 2.2 t80 -63.91 -31.33 72.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.025 -0.988 . . . . 2.3700000000000001 110.257 178.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.554 ' O ' ' HB ' ' B' ' 81' ' ' THR . 43.7 mt-10 -67.49 -42.95 82.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.017 0.436 . . . . 2.5099999999999998 110.54 176.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.01 -51.72 15.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 0.64000000000000001 111.664 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.35 -62.52 1.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.097 0.475 . . . . 0.98999999999999999 111.905 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.69 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.852 -0.613 . . . . 1.55 111.815 -171.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' B' ' 77' ' ' GLU . 3.8 m -95.6 -8.83 33.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.249 0.547 . . . . 2.3300000000000001 110.626 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.08 -36.28 6.04 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.856 -0.688 . . . . 2.5899999999999999 112.276 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 28.8 tptp . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.383 -0.817 . . . . 4.4000000000000004 109.883 177.963 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 121.116 0.484 . . . . 2.3999999999999999 111.142 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -66.93 -33.77 76.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.684 -0.689 . . . . 2.52 110.26 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.86 -48.85 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.858 -0.61 . . . . 1.8999999999999999 111.629 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB2' ' HE3' ' A' ' 19' ' ' LYS . 20.4 ptmt -69.6 -35.92 75.74 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.901 -0.32 . . . . 1.49 111.166 -177.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.447 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 48.0 mtm105 -72.04 -33.99 68.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.097 0.475 . . . . 2.3399999999999999 110.384 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.664 HD13 ' CD2' ' B' ' 76' ' ' PHE . 6.1 tp -59.56 -47.76 84.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.176 -0.92 . . . . 0.69999999999999996 110.832 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -60.65 -62.26 1.99 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.815 0.672 . . . . 0.82999999999999996 112.815 -175.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 4.2 p90 -60.74 -37.97 83.6 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.891 0.377 . . . . 2.9900000000000002 111.325 -170.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.15 99.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.986 -0.552 . . . . 1.1399999999999999 110.969 -177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.3 mt -72.43 -38.34 60.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.078 -0.51 . . . . 0.96999999999999997 109.908 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.557 HG23 HG23 ' A' ' 50' ' ' ILE . 48.4 mt -53.33 -49.45 52.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.78000000000000003 111.496 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' HIS . 16.7 mm100 -60.02 -45.32 93.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 1.5800000000000001 111.162 -178.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.69 -37.88 85.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.244 0.545 . . . . 1.98 110.689 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.506 ' HA ' HE21 ' A' ' 32' ' ' GLN . 7.2 mp -70.9 -28.18 64.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 0.69999999999999996 110.823 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' A' ' 27' ' ' GLN . 35.6 t-80 -61.44 -46.04 91.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 1.4099999999999999 110.103 174.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.15 -50.75 70.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 1.98 110.204 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 29' ' ' LEU . 19.2 mt-30 -52.68 -40.93 63.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 1.9199999999999999 111.521 176.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -51.38 69.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.687 -0.688 . . . . 1.22 111.006 -176.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -91.59 -14.56 30.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.327 0.492 . . . . 3.4900000000000002 112.327 -171.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -93.29 -7.42 45.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 2.6800000000000002 111.143 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.59 43.05 10.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.53000000000000003 112.667 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.39 -73.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.52000000000000002 111.795 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -69.02 170.56 9.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.255 -0.276 . . . . 0.82999999999999996 110.255 174.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -71.25 165.5 23.53 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.304 -0.258 . . . . 1.4199999999999999 110.304 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -57.44 -54.16 49.97 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.747 0.277 . . . . 1.6299999999999999 111.747 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.85 -36.15 74.11 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.269 0.557 . . . . 2.2000000000000002 110.547 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -67.05 -48.0 69.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.331 -0.85 . . . . 0.54000000000000004 110.514 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -49.22 -58.24 5.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.69 -0.686 . . . . 1.5600000000000001 111.779 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.1 mt-10 -43.32 -53.59 5.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.314 -0.857 . . . . 2.3599999999999999 111.92 177.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.9 t -73.81 -28.11 61.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.47 . . . . 1.04 110.639 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.85 -44.22 90.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 1.28 110.894 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.94 -36.14 81.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.844 0.354 . . . . 1.76 110.112 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 44' ' ' GLU . 94.5 t -60.43 -44.45 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.71 -0.478 . . . . 0.48999999999999999 109.71 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -58.65 -39.72 81.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.713 -0.676 . . . . 0.47999999999999998 111.18 178.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.557 HG23 HG23 ' A' ' 26' ' ' ILE . 68.6 mt -54.92 -57.23 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.60999999999999999 111.261 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -63.6 -31.74 73.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.467 -0.333 . . . . 1.8400000000000001 111.72 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.1 m -69.11 -44.95 71.4 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.091 -0.244 . . . . 0.68999999999999995 110.676 178.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 95.8 mt -61.96 -39.75 93.21 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.056 0.455 . . . . 0.76000000000000001 109.957 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -52.56 -55.97 18.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.132 -0.94 . . . . 1.6499999999999999 110.831 177.146 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.7 m -72.17 -34.99 68.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.211 -0.45 . . . . 1.1599999999999999 111.314 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.5 64.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.365 -0.38 . . . . 1.1499999999999999 111.467 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 79.0 m-85 -82.56 -10.19 59.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.852 0.358 . . . . 2.0499999999999998 111.371 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.16 28.17 66.87 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.065 -0.588 . . . . 2.6000000000000001 111.912 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 29.8 m -100.6 156.78 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.919 0.39 . . . . 1.3500000000000001 110.577 -177.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.9 p -137.96 -174.64 3.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.86 -0.609 . . . . 2.3799999999999999 110.609 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.09 -22.9 32.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.956 0.408 . . . . 2.21 110.428 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HA ' ' OD2' ' A' ' 65' ' ' ASP . 33.5 mm-40 -64.12 -39.9 95.03 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.823 0.821 . . . . 4.0099999999999998 109.775 175.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -72.12 -11.08 60.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.142 -0.935 . . . . 3.6200000000000001 110.179 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.551 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 31.7 t -87.98 -18.84 28.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.683 -0.689 . . . . 2.9100000000000001 109.743 175.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 67' ' ' ALA . 33.7 m-20 -72.14 -34.51 68.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.222 -0.444 . . . . 3.46 110.303 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.93 27.46 0.23 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.186 -0.461 . . . . 1.8700000000000001 110.945 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -48.42 130.45 16.65 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.254 -0.885 . . . . 1.53 112.78 -176.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.503 HD12 HD11 ' A' ' 72' ' ' LEU . 96.4 mt -69.85 159.08 85.49 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 114.939 -1.028 . . . . 1.55 110.548 177.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -44.81 -50.57 8.33 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.311 2.674 . . . . 2.7400000000000002 113.321 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -118.43 152.63 35.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.036 -0.529 . . . . 2.75 109.951 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.3 p -73.17 141.4 47.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.461 0.648 . . . . 1.55 110.074 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.655 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 10.1 mp -69.98 -42.59 17.93 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.115 -0.948 . . . . 1.79 113.082 -172.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.45 -31.38 68.4 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.465 1.443 . . . . 1.0700000000000001 112.197 171.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -74.52 -37.69 63.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.75 0.31 . . . . 2.2799999999999998 110.227 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.1 mt -55.56 -51.02 62.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.343 0.592 . . . . 1.3799999999999999 110.242 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.667 ' CD2' HD13 ' B' ' 21' ' ' LEU . 0.9 OUTLIER -61.78 -36.27 80.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.35 -0.841 . . . . 2.3599999999999999 111.975 -178.785 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -54.54 -35.41 63.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.098 0.475 . . . . 2.52 109.862 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.62 -55.6 3.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.081 -0.509 . . . . 0.65000000000000002 111.528 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.85 -57.36 4.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.627 0.602 . . . . 0.98999999999999999 112.627 -172.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.37 -21.71 61.25 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.301 0.482 . . . . 1.5600000000000001 112.301 -169.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.451 ' HA ' ' NH1' ' B' ' 20' ' ' ARG . 50.7 m -74.63 -28.41 60.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.711 0.263 . . . . 2.3300000000000001 111.711 -178.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -176.66 115.46 0.52 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 119.671 -1.252 . . . . 2.5899999999999999 113.368 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.74 -0.647 . . . . 4.4100000000000001 109.386 173.204 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.963 0.411 . . . . 3.6800000000000002 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.75 127.41 31.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.83 -0.623 . . . . 2.4199999999999999 111.119 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -66.98 -33.78 76.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.693 -0.685 . . . . 2.52 110.227 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.87 -48.83 80.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.888 -0.596 . . . . 1.8899999999999999 111.609 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' B' ' 19' ' ' LYS . 20.4 ptmt -69.58 -35.88 75.76 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.899 -0.32 . . . . 1.49 111.2 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.451 ' NH1' ' HA ' ' A' ' 81' ' ' THR . 48.0 mtm105 -72.1 -34.01 68.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.163 0.506 . . . . 2.3399999999999999 110.397 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.667 HD13 ' CD2' ' A' ' 76' ' ' PHE . 6.1 tp -59.51 -47.81 84.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.189 -0.914 . . . . 0.69999999999999996 110.771 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.48 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -60.7 -62.24 2.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.741 0.645 . . . . 0.82999999999999996 112.741 -175.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.556 ' CD1' ' HA ' ' B' ' 64' ' ' SER . 4.3 p90 -60.84 -38.01 84.03 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.904 0.383 . . . . 2.9900000000000002 111.221 -170.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.31 99.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.54 . . . . 1.1399999999999999 110.975 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 46.4 mt -72.29 -38.38 61.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.096 -0.502 . . . . 0.96999999999999997 109.964 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.573 HG23 HG23 ' B' ' 50' ' ' ILE . 47.8 mt -53.27 -49.57 51.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.504 . . . . 0.78000000000000003 111.443 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -60.0 -45.32 93.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.712 0.292 . . . . 1.5800000000000001 111.193 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -66.76 -37.76 85.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.146 0.498 . . . . 1.98 110.665 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.5 ' HA ' HE21 ' B' ' 32' ' ' GLN . 7.2 mp -70.76 -28.29 64.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.022 -0.536 . . . . 0.69999999999999996 110.86 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -61.52 -46.0 91.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 1.4099999999999999 110.147 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.24 -50.58 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 1.98 110.162 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.5 HE21 ' HA ' ' B' ' 29' ' ' LEU . 19.1 mt-30 -52.72 -41.02 63.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 1.9299999999999999 111.478 176.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -51.67 68.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.75 -0.659 . . . . 1.22 110.94 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -91.65 -14.17 30.56 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.347 0.499 . . . . 3.5 112.347 -171.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -93.53 -7.42 44.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.322 . . . . 2.6899999999999999 111.104 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.81 42.51 11.11 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.799 -0.715 . . . . 0.53000000000000003 112.696 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.81 -74.29 0.67 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.862 -0.685 . . . . 0.53000000000000003 111.674 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.437 HD22 ' N ' ' B' ' 38' ' ' LEU . 3.2 mm? -68.58 170.36 9.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.336 -0.246 . . . . 0.82999999999999996 110.336 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -70.98 165.5 23.28 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.377 -0.231 . . . . 1.4199999999999999 110.377 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.1 t -57.68 -53.99 51.93 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.641 0.238 . . . . 1.6299999999999999 111.641 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.71 -36.26 73.98 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.296 0.57 . . . . 2.21 110.553 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.06 -48.03 69.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.272 -0.876 . . . . 0.54000000000000004 110.442 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -49.25 -58.14 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.407 0.683 . . . . 1.5700000000000001 111.777 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.453 ' O ' HG23 ' B' ' 48' ' ' VAL . 41.3 mt-10 -43.42 -53.52 5.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.279 -0.873 . . . . 2.3599999999999999 111.897 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 13.0 t -73.84 -28.18 61.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.131 0.491 . . . . 1.04 110.603 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.75 -44.33 90.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.806 -0.633 . . . . 1.28 110.922 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.84 -36.17 81.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 1.75 110.123 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 44' ' ' GLU . 99.4 t -60.51 -44.37 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.735 -0.468 . . . . 0.48999999999999999 109.735 174.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -58.57 -39.76 81.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.654 -0.703 . . . . 0.47999999999999998 111.235 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.573 HG23 HG23 ' B' ' 26' ' ' ILE . 68.2 mt -54.96 -57.22 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.62 111.285 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -63.54 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 1.8400000000000001 111.705 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 49' ' ' ALA . 71.7 m -69.09 -44.9 71.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.754 -0.203 . . . . 0.68999999999999995 110.654 178.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 95.8 mt -62.16 -39.73 93.63 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.074 0.464 . . . . 0.76000000000000001 109.941 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 0.1 OUTLIER -52.4 -56.07 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.091 -0.959 . . . . 1.6599999999999999 110.774 177.066 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 22.1 m -72.18 -35.15 68.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.298 -0.41 . . . . 1.1499999999999999 111.3 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.415 ' O ' ' HB1' ' A' ' 42' ' ' ALA . . . -60.65 -52.45 65.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.981 0.42 . . . . 1.1399999999999999 111.646 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.48 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 79.5 m-85 -82.58 -10.04 59.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 2.0600000000000001 111.424 -178.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.04 28.18 67.09 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.927 -0.654 . . . . 2.6000000000000001 111.9 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.593 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 30.7 m -100.59 156.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.722 0.296 . . . . 1.3500000000000001 110.652 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 24.2 p -138.14 -174.48 3.81 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.977 -0.556 . . . . 2.3799999999999999 110.487 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.38 -22.65 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.969 0.414 . . . . 2.21 110.414 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.423 ' HA ' ' OD2' ' B' ' 65' ' ' ASP . 33.2 mm-40 -64.24 -39.82 94.74 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.877 0.846 . . . . 4.0 109.757 175.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.18 -11.16 60.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.113 -0.949 . . . . 3.6200000000000001 110.091 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.556 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 30.9 t -87.88 -18.99 27.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.679 -0.692 . . . . 2.9199999999999999 109.694 175.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' ALA . 32.8 m-20 -72.1 -34.39 68.59 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.261 -0.427 . . . . 3.46 110.323 177.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.67 26.66 0.23 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.173 -0.467 . . . . 1.8700000000000001 111.088 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.472 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -47.75 130.34 14.51 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.226 -0.897 . . . . 1.54 112.926 -176.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.499 HD12 HD11 ' B' ' 72' ' ' LEU . 96.4 mt -69.85 159.02 85.71 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.98 -1.009 . . . . 1.5600000000000001 110.611 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -45.17 -49.72 9.75 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.258 2.639 . . . . 2.75 113.422 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -118.94 152.82 35.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.474 . . . . 2.7599999999999998 109.897 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -73.6 144.23 46.06 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.505 0.669 . . . . 1.55 109.584 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.655 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 10.1 mp -72.14 -42.4 9.4 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.129 -0.941 . . . . 1.79 112.93 -172.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.32 -31.48 67.53 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.447 1.432 . . . . 1.0600000000000001 112.259 171.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -74.59 -37.56 62.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.451 -0.341 . . . . 2.27 110.267 178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.77 -50.99 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.275 0.559 . . . . 1.3700000000000001 110.069 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.664 ' CD2' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -61.81 -36.26 80.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.372 -0.831 . . . . 2.3700000000000001 111.975 -178.722 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -54.48 -35.6 63.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.177 -0.465 . . . . 2.5099999999999998 109.954 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.33 -55.56 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.154 -0.475 . . . . 0.64000000000000001 111.569 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.06 -57.02 4.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.782 0.66 . . . . 0.98999999999999999 112.782 -172.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.58 -21.87 61.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.233 0.457 . . . . 1.55 112.233 -169.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.429 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 52.1 m -74.45 -28.77 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.699 0.259 . . . . 2.3300000000000001 111.699 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -176.45 115.24 0.51 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.679 -1.248 . . . . 2.5899999999999999 113.393 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.599 -0.715 . . . . 4.4000000000000004 109.335 173.137 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.815 0.34 . . . . 2.3999999999999999 111.386 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.457 HD22 ' HB3' ' B' ' 76' ' ' PHE . 21.4 p-10 -70.24 -21.09 63.03 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.387 -0.597 . . . . 2.52 109.387 175.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 7.4 mmmm -57.4 -57.75 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.842 -1.072 . . . . 1.8999999999999999 111.275 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.47 -40.17 92.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.259 -0.428 . . . . 1.49 111.23 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 42.3 mtm180 -71.55 -23.88 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 2.3399999999999999 110.878 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 11.8 tp -65.57 -43.41 89.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.717 -0.674 . . . . 0.69999999999999996 110.402 174.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -61.94 -61.52 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.82999999999999996 112.231 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.652 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 4.4 p90 -62.2 -35.22 78.19 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.041 0.448 . . . . 2.9900000000000002 110.771 -173.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 72' ' ' LEU . . . -59.42 -47.26 86.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.594 -0.73 . . . . 1.1399999999999999 110.969 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.411 HG23 HD13 ' A' ' 29' ' ' LEU . 51.6 mt -67.55 -38.86 81.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.636 -0.711 . . . . 0.96999999999999997 110.157 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 22' ' ' ALA . 64.7 mt -55.03 -51.21 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.78000000000000003 111.247 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -58.29 -52.88 63.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 1.5800000000000001 111.489 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.42 -46.87 88.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.946 -0.57 . . . . 1.98 110.82 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.61 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.1 mp -70.67 -25.75 63.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.324 -0.398 . . . . 0.69999999999999996 111.582 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -65.89 -53.52 38.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.96 0.41 . . . . 1.4099999999999999 110.537 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.99 -47.54 79.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.07 -0.514 . . . . 1.98 110.287 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.512 HE21 ' HA ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -57.02 -34.37 68.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.571 -0.741 . . . . 1.9199999999999999 111.175 178.349 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.1 -40.37 97.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 1.22 110.356 -177.526 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -78.08 -26.76 48.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.24 -0.436 . . . . 3.4900000000000002 110.834 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -75.79 -32.02 59.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 2.6800000000000002 110.982 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.65 41.87 4.63 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.707 -0.679 . . . . 0.53000000000000003 111.869 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.408 ' HA3' ' HG2' ' A' ' 32' ' ' GLN . . . -63.91 -54.16 32.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.971 -0.633 . . . . 0.52000000000000002 112.47 -178.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.17 -178.78 5.74 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.193 -0.299 . . . . 0.82999999999999996 110.193 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 t -73.26 171.5 12.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.911 -0.131 . . . . 1.4199999999999999 110.746 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -58.83 -52.62 64.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.905 0.335 . . . . 1.6299999999999999 111.905 -174.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.1 -31.77 71.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.229 0.538 . . . . 2.2000000000000002 110.454 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -67.38 -40.96 85.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.828 -0.624 . . . . 0.54000000000000004 110.673 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.538 ' O ' HD21 ' A' ' 33' ' ' LEU . 38.5 mt-30 -52.23 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.843 -0.617 . . . . 1.5600000000000001 111.645 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 47' ' ' GLU . 11.0 pt-20 -53.98 -31.74 51.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.771 -0.65 . . . . 2.3599999999999999 111.821 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.4 m -67.53 -36.83 81.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.451 0.167 . . . . 1.04 110.913 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 63.9 mt -62.99 -41.15 99.49 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.929 -0.397 . . . . 1.28 109.929 177.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' OE1' ' HA ' ' A' ' 44' ' ' GLU . 48.5 mt-10 -57.54 -52.96 63.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 1.76 110.613 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 44' ' ' GLU . 37.1 t -57.02 -41.62 77.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.999 0.428 . . . . 0.48999999999999999 110.243 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.497 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -62.69 -43.63 98.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.914 -0.585 . . . . 0.47999999999999998 110.788 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 46' ' ' LEU . 52.2 mt -57.0 -50.94 74.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.026 -0.534 . . . . 0.60999999999999999 111.162 179.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.96 -42.17 84.45 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.941 0.4 . . . . 1.8400000000000001 110.691 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 77.1 m -66.04 -47.47 74.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.541 . . . . 0.68999999999999995 111.151 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 92.3 mt -60.94 -44.17 97.64 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.814 0.34 . . . . 0.76000000000000001 110.514 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 37.7 tt0 -57.49 -49.66 75.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 1.6499999999999999 110.712 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.4 m -69.26 -29.69 67.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.809 -0.632 . . . . 1.1599999999999999 111.014 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.39 -62.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 1.1499999999999999 112.028 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 86.9 m-85 -69.94 -18.11 63.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.542 -0.299 . . . . 2.0499999999999998 111.746 -175.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.16 27.19 50.23 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.735 -0.745 . . . . 2.6000000000000001 111.759 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 35.4 m -100.14 151.52 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.595 0.236 . . . . 1.3500000000000001 110.438 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.0 p -137.91 -171.41 3.0 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.871 -0.418 . . . . 2.3799999999999999 109.871 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.2 -25.78 38.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.468 . . . . 2.21 110.001 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 65' ' ' ASP . 16.2 mt-10 -68.2 -41.32 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.741 0.782 . . . . 4.0099999999999998 109.781 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -74.16 -18.25 60.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.33 -0.85 . . . . 3.6200000000000001 109.279 177.628 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 30.8 t -84.77 -12.65 53.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.321 -0.854 . . . . 2.9100000000000001 109.845 174.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 29.6 t70 -78.95 -29.29 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.888 -0.596 . . . . 3.46 110.076 178.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.6 pp -81.52 28.78 0.39 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.199 0.524 . . . . 1.8700000000000001 110.559 173.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -53.61 138.02 35.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.295 -0.866 . . . . 1.53 112.718 -176.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.453 HD12 HD21 ' A' ' 72' ' ' LEU . 93.5 mt -67.53 155.29 91.47 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.109 -0.95 . . . . 1.55 110.585 177.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -43.54 -49.14 7.99 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.865 3.043 . . . . 2.7400000000000002 113.466 -176.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -118.96 161.47 20.14 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.068 -0.345 . . . . 2.75 110.068 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 p -69.03 142.8 54.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.488 0.661 . . . . 1.55 110.723 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.472 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 3.8 mm? -79.71 -39.16 1.29 Allowed Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.307 -0.86 . . . . 1.79 112.895 -173.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 89.3 Cg_exo -54.42 -29.57 59.54 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.363 1.376 . . . . 1.0700000000000001 112.159 170.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -68.92 -46.42 68.32 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.203 -0.665 . . . . 2.2799999999999998 109.203 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.75 -39.5 56.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.868 -0.606 . . . . 1.3799999999999999 110.252 172.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 1.2 t80 -66.52 -20.09 65.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.491 -0.777 . . . . 2.3599999999999999 111.238 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 43.5 mt-10 -77.9 -36.17 49.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.043 0.449 . . . . 2.52 110.245 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.06 -58.98 2.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.694 -0.684 . . . . 0.65000000000000002 112.178 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.79 -37.62 86.79 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.266 0.469 . . . . 0.98999999999999999 112.266 -172.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -69.64 -21.27 63.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.319 -0.4 . . . . 1.5600000000000001 111.546 -176.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.5 p -99.29 6.04 46.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.113 0.482 . . . . 2.3300000000000001 110.747 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.79 79.81 1.5 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.85 -0.69 . . . . 2.5899999999999999 112.008 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.405 -0.807 . . . . 4.4100000000000001 109.984 178.947 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.379 -0.6 . . . . 3.6800000000000002 109.379 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.17 114.36 4.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.888 0.375 . . . . 2.4199999999999999 111.41 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.446 HD22 ' HB3' ' A' ' 76' ' ' PHE . 21.2 p-10 -70.32 -21.14 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.359 -0.608 . . . . 2.52 109.359 175.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 7.4 mmmm -57.33 -57.86 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.824 -1.08 . . . . 1.8899999999999999 111.368 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.25 -40.27 93.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 1.49 111.259 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.582 ' HA ' ' CE2' ' B' ' 23' ' ' TYR . 42.6 mtm180 -71.49 -23.86 61.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 2.3399999999999999 110.964 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 11.8 tp -65.55 -43.54 89.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.709 -0.678 . . . . 0.69999999999999996 110.376 174.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.47 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -61.81 -61.5 2.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.82999999999999996 112.217 -175.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.644 ' OH ' ' HA ' ' B' ' 67' ' ' ALA . 4.3 p90 -62.33 -35.12 78.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.042 0.449 . . . . 2.9900000000000002 110.769 -173.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' B' ' 72' ' ' LEU . . . -59.47 -47.38 85.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.579 -0.737 . . . . 1.1399999999999999 111.031 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.433 HG23 HD13 ' B' ' 29' ' ' LEU . 51.4 mt -67.37 -38.91 81.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.639 -0.709 . . . . 0.96999999999999997 110.099 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 22' ' ' ALA . 64.4 mt -55.1 -51.07 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.78000000000000003 111.287 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -58.3 -52.68 64.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.779 0.323 . . . . 1.5800000000000001 111.623 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.76 -46.68 89.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.892 -0.595 . . . . 1.98 110.81 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.1 mp -70.77 -25.64 62.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.245 -0.434 . . . . 0.69999999999999996 111.564 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -66.01 -53.44 38.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.984 0.421 . . . . 1.4099999999999999 110.474 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.95 -47.68 79.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.555 . . . . 1.98 110.371 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.515 HE21 ' HA ' ' B' ' 29' ' ' LEU . 0.6 OUTLIER -56.96 -34.26 67.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.505 -0.77 . . . . 1.9299999999999999 111.167 178.332 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.601 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -63.21 -40.32 97.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.37 -0.377 . . . . 1.22 110.428 -177.567 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -77.96 -26.95 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.26 -0.427 . . . . 3.5 110.865 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -75.77 -31.84 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.07 0.462 . . . . 2.6899999999999999 110.971 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.41 42.13 4.64 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.952 -0.642 . . . . 0.53000000000000003 111.769 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.405 ' HA3' ' HG2' ' B' ' 32' ' ' GLN . . . -63.91 -54.34 31.44 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.973 -0.632 . . . . 0.53000000000000003 112.38 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.15 -178.66 5.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.152 -0.314 . . . . 0.82999999999999996 110.152 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.0 t -73.31 171.49 12.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.828 -0.169 . . . . 1.4199999999999999 110.646 -178.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.1 m -58.86 -52.6 65.04 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 111.873 0.323 . . . . 1.6299999999999999 111.873 -174.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -68.0 -31.77 71.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.327 0.584 . . . . 2.21 110.504 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -67.5 -40.76 85.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 0.54000000000000004 110.71 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.549 ' O ' HD21 ' B' ' 33' ' ' LEU . 38.3 mt-30 -52.32 -65.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.817 -0.629 . . . . 1.5700000000000001 111.588 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' B' ' 47' ' ' GLU . 10.9 pt-20 -53.88 -31.95 51.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.768 -0.651 . . . . 2.3599999999999999 111.779 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -67.21 -37.06 83.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.539 0.209 . . . . 1.04 110.862 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 63.6 mt -63.09 -41.01 99.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.854 -0.424 . . . . 1.28 109.854 177.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.421 ' OE1' ' HA ' ' B' ' 44' ' ' GLU . 47.5 mt-10 -57.37 -53.26 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 1.75 110.632 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 44' ' ' GLU . 37.2 t -56.96 -41.55 77.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.48999999999999999 110.207 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -62.81 -43.5 98.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.47999999999999998 110.818 176.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 46' ' ' LEU . 52.4 mt -57.02 -50.83 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.999 -0.546 . . . . 0.62 111.234 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.09 -42.07 84.81 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.862 0.363 . . . . 1.8400000000000001 110.716 178.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 76.7 m -66.06 -47.5 74.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.68999999999999995 111.12 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 92.4 mt -60.91 -44.1 97.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.76000000000000001 110.556 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 37.9 tt0 -57.61 -49.57 75.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.744 -0.662 . . . . 1.6599999999999999 110.738 177.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.4 m -69.47 -29.57 67.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.758 -0.656 . . . . 1.1499999999999999 110.989 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.25 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 1.1399999999999999 111.913 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.47 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 86.8 m-85 -69.79 -18.44 63.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 2.0600000000000001 111.68 -175.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.57 27.08 48.79 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.758 -0.735 . . . . 2.6000000000000001 111.624 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.575 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 35.5 m -100.09 151.58 5.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.591 0.234 . . . . 1.3500000000000001 110.39 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 57.1 p -138.16 -171.58 3.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.835 -0.431 . . . . 2.3799999999999999 109.835 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 8.2 p -62.04 -25.91 38.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.18 0.514 . . . . 2.21 110.0 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' B' ' 65' ' ' ASP . 16.2 mt-10 -68.15 -41.08 82.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.763 0.792 . . . . 4.0 109.829 176.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 0.9 OUTLIER -74.48 -18.32 60.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.376 -0.829 . . . . 3.6200000000000001 109.261 177.608 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 32.7 t -84.57 -12.83 53.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.226 -0.897 . . . . 2.9199999999999999 109.933 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' B' ' 62' ' ' GLU . 30.0 t70 -78.9 -29.11 44.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.952 -0.567 . . . . 3.46 110.136 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.6 pp -81.09 27.25 0.41 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.226 0.536 . . . . 1.8700000000000001 110.754 173.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.644 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -52.45 138.04 28.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.248 -0.887 . . . . 1.54 112.744 -176.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.437 HD12 HD21 ' B' ' 72' ' ' LEU . 93.5 mt -67.59 155.27 91.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.09 -0.959 . . . . 1.5600000000000001 110.607 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -43.49 -49.13 7.93 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.903 3.069 . . . . 2.75 113.573 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -118.91 161.94 19.34 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.062 -0.348 . . . . 2.7599999999999998 110.062 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 13.9 p -69.77 145.01 52.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.539 0.685 . . . . 1.55 110.352 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 3.8 mm? -81.52 -38.92 0.95 Allowed Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.41 -0.814 . . . . 1.79 112.696 -172.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.502 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 87.7 Cg_exo -54.44 -29.67 60.19 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.289 1.326 . . . . 1.0600000000000001 112.203 169.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -68.81 -46.65 68.07 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.159 -0.682 . . . . 2.27 109.159 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.66 -39.34 54.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 1.3700000000000001 110.325 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 1.2 t80 -66.58 -20.16 65.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.538 -0.756 . . . . 2.3700000000000001 111.295 -177.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 42.8 mt-10 -77.71 -36.83 50.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.042 0.448 . . . . 2.5099999999999998 110.189 176.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.37 -59.09 2.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.702 -0.681 . . . . 0.64000000000000001 112.266 -176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.89 87.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.193 0.442 . . . . 0.98999999999999999 112.193 -172.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -69.3 -21.4 63.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.304 -0.407 . . . . 1.55 111.643 -176.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 23.3 p -99.38 6.16 46.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.179 0.514 . . . . 2.3300000000000001 110.765 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.84 80.11 1.49 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.787 -0.721 . . . . 2.5899999999999999 112.007 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.473 -0.775 . . . . 4.4000000000000004 109.929 179.006 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 121.08 0.466 . . . . 2.3999999999999999 110.575 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.489 ' OD1' ' HB3' ' B' ' 80' ' ' ALA . 7.6 t30 -68.26 -32.56 72.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.738 -0.665 . . . . 2.52 109.694 177.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -54.9 -54.27 44.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.727 -0.67 . . . . 1.8999999999999999 111.638 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -69.91 -36.76 75.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.524 -0.307 . . . . 1.49 111.735 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.32 -30.94 63.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.158 0.504 . . . . 2.3399999999999999 110.506 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' B' ' 76' ' ' PHE . 33.9 tp -61.93 -45.46 93.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.417 -0.81 . . . . 0.69999999999999996 110.374 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.625 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -59.39 -63.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.325 -0.852 . . . . 0.82999999999999996 112.617 -175.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 4.0 p90 -61.13 -35.28 76.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.997 0.427 . . . . 2.9900000000000002 110.692 -172.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.62 94.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 1.1399999999999999 110.818 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.8 mt -68.68 -39.49 80.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.96999999999999997 110.09 175.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.608 HG23 HG23 ' A' ' 50' ' ' ILE . 67.7 mt -56.79 -53.2 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 0.78000000000000003 111.473 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -62.86 -36.23 82.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 1.5800000000000001 111.211 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.438 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 64.4 t80 -67.32 -44.46 79.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.179 -0.464 . . . . 1.98 109.9 176.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 7.9 mp -67.03 -28.42 68.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.69999999999999996 111.068 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -67.88 -46.12 72.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.973 0.416 . . . . 1.4099999999999999 110.037 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -66.63 -40.94 88.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.51 0.671 . . . . 1.98 109.852 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -60.0 -37.06 78.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.853 -1.067 . . . . 1.9199999999999999 110.468 177.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.602 HD23 ' HB2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -67.96 -46.89 70.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.812 . . . . 1.22 109.601 178.271 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -64.65 -35.15 80.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.518 -0.765 . . . . 3.4900000000000002 110.927 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -81.36 -18.61 45.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.32 -0.4 . . . . 2.6800000000000002 111.203 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.44 41.71 24.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.076 -0.583 . . . . 0.53000000000000003 111.802 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.19 -37.8 95.04 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.317 -0.468 . . . . 0.52000000000000002 113.558 -174.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 4.4 mm? -100.83 176.6 5.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.817 0.341 . . . . 0.82999999999999996 111.686 -177.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -72.34 -171.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.656 -0.702 . . . . 1.4199999999999999 111.14 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 40.5 t -62.94 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.848 0.314 . . . . 1.6299999999999999 111.848 -174.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -66.38 -30.2 70.53 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.384 0.611 . . . . 2.2000000000000002 110.071 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 38' ' ' LEU . . . -62.64 -43.33 99.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.012 -0.994 . . . . 0.54000000000000004 110.934 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.48 ' O ' HD21 ' A' ' 33' ' ' LEU . 55.0 tt0 -62.8 -44.25 96.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 1.5600000000000001 110.381 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 40' ' ' SER . 6.2 mm-40 -61.99 -37.15 83.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.978 -0.555 . . . . 2.3599999999999999 110.152 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.3 m -68.81 -26.51 65.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.545 -0.752 . . . . 1.04 111.591 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.602 ' HB2' HD23 ' A' ' 33' ' ' LEU . 28.9 mt -64.1 -51.1 65.63 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 120.643 -0.423 . . . . 1.28 110.152 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -58.15 -45.51 87.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.203 -0.453 . . . . 1.76 110.919 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.416 ' HB ' ' SG ' ' B' ' 52' ' ' CYS . 68.0 t -60.4 -45.23 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.48999999999999999 110.531 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.69 84.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.47999999999999998 111.128 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.608 HG23 HG23 ' A' ' 26' ' ' ILE . 63.6 mt -56.26 -55.73 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.60999999999999999 110.589 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -65.57 -34.74 78.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.013 -0.54 . . . . 1.8400000000000001 110.632 -177.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.438 ' SG ' ' HB ' ' B' ' 48' ' ' VAL . 9.4 t -70.63 -48.2 56.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.888 -0.597 . . . . 0.68999999999999995 110.925 -177.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.4 mt -70.87 -32.22 69.15 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.554 0.216 . . . . 0.76000000000000001 111.094 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.96 -47.24 81.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.328 -0.619 . . . . 1.6499999999999999 109.328 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -69.99 -35.24 74.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.373 -0.831 . . . . 1.1599999999999999 110.816 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.468 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -62.77 -52.65 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.038 -0.528 . . . . 1.1499999999999999 112.085 -177.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.625 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 86.2 m-85 -82.67 -5.97 59.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.998 0.427 . . . . 2.0499999999999998 111.122 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.57 26.13 74.6 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.882 -0.599 . . . . 2.6000000000000001 112.011 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.3 m -95.19 162.16 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.996 0.427 . . . . 1.3500000000000001 110.773 -177.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.1 p -139.42 -171.89 3.23 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.67 -0.695 . . . . 2.3799999999999999 109.969 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -69.3 -20.78 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.058 0.456 . . . . 2.21 110.032 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.97 -37.3 87.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.461 0.648 . . . . 4.0099999999999998 109.892 175.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.82 -16.65 62.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.448 -0.796 . . . . 3.6200000000000001 109.785 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.574 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 30.6 t -89.3 -13.62 37.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.771 -0.649 . . . . 2.9100000000000001 110.04 175.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' C ' ' H ' ' A' ' 67' ' ' ALA . 21.1 t70 -75.01 -34.85 61.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.091 0.472 . . . . 3.46 109.887 177.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -80.13 28.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 1.8700000000000001 110.524 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.439 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -50.05 134.54 21.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.26 -0.882 . . . . 1.53 112.749 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.467 HD12 HD21 ' A' ' 72' ' ' LEU . 87.9 mt -71.43 160.47 82.47 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 114.793 -1.094 . . . . 1.55 110.014 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -42.54 -41.78 8.05 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.168 2.579 . . . . 2.7400000000000002 113.462 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -134.51 160.99 36.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.504 -0.316 . . . . 2.75 110.204 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -68.33 141.51 55.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.36 0.6 . . . . 1.55 110.413 176.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.637 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 66.2 mt -72.95 -42.44 7.41 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.218 -0.901 . . . . 1.79 113.391 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.518 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 71.7 Cg_exo -53.1 -31.76 55.94 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.46 1.44 . . . . 1.0700000000000001 112.07 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -62.8 -50.23 71.82 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.024 -0.535 . . . . 2.2799999999999998 109.646 175.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.402 HD12 HD23 ' A' ' 72' ' ' LEU . 55.3 mt -53.27 -44.98 55.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 115.327 -0.851 . . . . 1.3799999999999999 110.327 173.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.64 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 0.0 OUTLIER -67.26 -35.4 79.45 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.571 -0.741 . . . . 2.3599999999999999 111.31 -174.373 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 34.0 mt-10 -63.61 -25.69 68.34 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.515 -0.474 . . . . 2.52 110.451 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.459 ' O ' ' HA3' ' A' ' 82' ' ' GLY . . . -87.65 -27.11 22.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.38 -0.373 . . . . 0.65000000000000002 111.417 176.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.19 -61.15 1.63 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.925 0.393 . . . . 0.98999999999999999 111.798 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.522 ' HB3' ' OD1' ' B' ' 17' ' ' ASN . . . -59.42 -63.36 1.33 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.549 -0.75 . . . . 1.5600000000000001 112.081 -171.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 t -89.25 -1.1 57.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.007 0.432 . . . . 2.3300000000000001 110.541 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 78' ' ' ALA . . . -76.91 -31.37 53.65 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.75 -0.738 . . . . 2.5899999999999999 111.676 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.417 -0.801 . . . . 4.4100000000000001 109.862 178.161 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 71.3 mtm . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.108 0.48 . . . . 3.6800000000000002 110.558 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -78.08 101.66 7.08 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.734 -0.666 . . . . 2.4199999999999999 110.494 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.522 ' OD1' ' HB3' ' A' ' 80' ' ' ALA . 7.5 t30 -68.42 -32.55 72.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.702 -0.681 . . . . 2.52 109.66 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -55.14 -54.18 46.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.772 -0.649 . . . . 1.8899999999999999 111.521 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -69.98 -36.69 75.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.62 -0.264 . . . . 1.49 111.639 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -73.35 -30.94 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.142 0.496 . . . . 2.3399999999999999 110.481 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.493 HD13 ' CD2' ' A' ' 76' ' ' PHE . 34.2 tp -61.82 -45.58 93.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.47 -0.786 . . . . 0.69999999999999996 110.435 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.629 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -59.32 -63.57 1.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.267 -0.879 . . . . 0.82999999999999996 112.554 -175.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' B' ' 64' ' ' SER . 4.1 p90 -61.05 -35.36 76.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.015 0.436 . . . . 2.9900000000000002 110.685 -172.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.61 94.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.718 -0.673 . . . . 1.1399999999999999 110.784 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 29.2 mt -68.61 -39.56 80.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.128 -0.487 . . . . 0.96999999999999997 110.094 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.609 HG23 HG23 ' B' ' 50' ' ' ILE . 67.3 mt -56.9 -53.13 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.366 -0.379 . . . . 0.78000000000000003 111.478 177.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -62.83 -36.27 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 1.5800000000000001 111.219 -178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.44 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 64.5 t80 -67.31 -44.46 79.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.18 -0.463 . . . . 1.98 109.911 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 8.0 mp -67.06 -28.21 68.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.69999999999999996 111.141 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -68.12 -45.94 72.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.014 0.435 . . . . 1.4099999999999999 110.025 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -66.68 -40.99 88.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.518 0.675 . . . . 1.98 109.794 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -60.07 -36.9 78.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.899 -1.046 . . . . 1.9299999999999999 110.465 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -68.02 -46.84 70.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.468 -0.787 . . . . 1.22 109.612 178.327 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -64.68 -35.36 80.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.493 -0.776 . . . . 3.5 110.798 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -81.24 -18.83 44.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.922 0.392 . . . . 2.6899999999999999 111.127 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.61 41.8 23.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.055 -0.593 . . . . 0.53000000000000003 111.929 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.28 -37.74 94.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.364 -0.446 . . . . 0.53000000000000003 113.48 -174.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' B' ' 42' ' ' ALA . 4.4 mm? -101.16 176.46 5.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.951 0.405 . . . . 0.82999999999999996 111.722 -177.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -72.16 -171.74 0.79 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.728 -0.669 . . . . 1.4199999999999999 111.095 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' B' ' 44' ' ' GLU . 45.3 t -63.57 -65.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.955 0.354 . . . . 1.6299999999999999 111.955 -174.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -67.34 -30.25 70.03 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.491 0.662 . . . . 2.21 109.984 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -62.26 -43.52 98.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.908 -1.042 . . . . 0.54000000000000004 110.931 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.47 ' O ' HD21 ' B' ' 33' ' ' LEU . 54.7 tt0 -62.69 -44.57 95.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 1.5700000000000001 110.32 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 40' ' ' SER . 6.2 mm-40 -61.86 -37.07 83.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.986 -0.552 . . . . 2.3599999999999999 110.129 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.2 m -68.66 -26.83 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.519 -0.764 . . . . 1.04 111.557 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.601 ' HB2' HD23 ' B' ' 33' ' ' LEU . 28.9 mt -64.0 -51.01 66.26 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.652 -0.419 . . . . 1.28 110.163 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -58.26 -45.43 87.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.293 -0.412 . . . . 1.75 110.91 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.438 ' HB ' ' SG ' ' A' ' 52' ' ' CYS . 67.1 t -60.4 -45.29 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.48999999999999999 110.576 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.75 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.004 -0.544 . . . . 0.47999999999999998 111.127 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.609 HG23 HG23 ' B' ' 26' ' ' ILE . 62.8 mt -56.26 -55.75 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.62 110.483 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -65.56 -34.67 78.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.127 0.489 . . . . 1.8400000000000001 110.622 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.416 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 9.4 t -70.7 -48.21 55.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 0.68999999999999995 110.885 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -70.9 -32.2 69.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.51 0.195 . . . . 0.76000000000000001 111.104 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.11 -47.01 82.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.231 -0.655 . . . . 1.6599999999999999 109.231 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 29.3 m -70.11 -35.34 74.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.35 -0.841 . . . . 1.1499999999999999 110.809 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.8 61.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.1399999999999999 111.985 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.629 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 86.5 m-85 -82.58 -6.0 59.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.839 0.352 . . . . 2.0600000000000001 111.191 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.8 25.81 75.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.171 -0.538 . . . . 2.6000000000000001 112.024 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -95.11 162.14 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.984 0.421 . . . . 1.3500000000000001 110.865 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 22.5 p -139.49 -171.93 3.25 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.698 -0.683 . . . . 2.3799999999999999 109.937 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.44 -20.82 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.052 0.453 . . . . 2.21 109.926 175.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.8 -37.28 87.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.454 0.645 . . . . 4.0 109.945 174.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.02 -16.95 62.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 3.6200000000000001 109.801 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.576 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 29.6 t -88.6 -13.98 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.79 -0.641 . . . . 2.9199999999999999 110.135 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' B' ' 67' ' ' ALA . 21.3 t70 -74.98 -34.45 62.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.126 0.489 . . . . 3.46 110.012 177.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.99 27.11 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.63 -0.714 . . . . 1.8700000000000001 110.68 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.437 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -49.21 134.48 17.99 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.162 -0.926 . . . . 1.54 112.72 -175.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.455 HD12 HD21 ' B' ' 72' ' ' LEU . 88.8 mt -71.45 160.49 82.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 114.785 -1.098 . . . . 1.5600000000000001 109.928 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -42.68 -41.61 8.34 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.173 2.582 . . . . 2.75 113.556 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -134.44 161.56 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.106 -0.331 . . . . 2.7599999999999998 110.106 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.3 p -69.24 144.33 53.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.345 0.593 . . . . 1.55 110.064 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.64 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 64.7 mt -75.11 -42.23 4.25 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.238 -0.892 . . . . 1.79 113.164 -171.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.504 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 72.0 Cg_exo -53.21 -31.76 57.06 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 121.455 1.437 . . . . 1.0600000000000001 112.106 173.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -62.77 -50.19 72.01 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.253 0.549 . . . . 2.27 109.689 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.405 HD12 HD23 ' B' ' 72' ' ' LEU . 56.3 mt -53.25 -44.85 54.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 115.323 -0.853 . . . . 1.3700000000000001 110.519 172.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.637 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.39 -35.44 79.31 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.532 -0.758 . . . . 2.3700000000000001 111.292 -174.448 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 33.7 mt-10 -63.7 -25.79 68.36 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.471 -0.492 . . . . 2.5099999999999998 110.509 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.471 ' O ' ' HA3' ' B' ' 82' ' ' GLY . . . -87.19 -28.12 22.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.343 -0.39 . . . . 0.64000000000000001 111.418 176.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.89 -61.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.062 0.458 . . . . 0.98999999999999999 112.131 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 17' ' ' ASN . . . -59.81 -63.03 1.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.465 -0.789 . . . . 1.55 112.133 -170.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 7.2 t -89.54 -0.99 57.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 2.3300000000000001 110.431 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' B' ' 78' ' ' ALA . . . -76.73 -31.44 53.78 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.766 -0.73 . . . . 2.5899999999999999 111.68 178.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.276 -0.868 . . . . 4.4000000000000004 109.887 178.355 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 . . . . . 0 CA--C 1.516 -0.327 0 CA-C-O 120.855 0.359 . . . . 2.3999999999999999 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -66.31 -21.68 66.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.85 -0.614 . . . . 2.52 110.177 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -58.2 -48.06 81.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.793 -0.64 . . . . 1.8999999999999999 110.841 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -69.16 -41.35 77.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.299 0.571 . . . . 1.49 110.043 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.747 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 98.5 mtt180 -67.61 -31.32 71.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.317 -0.856 . . . . 2.3399999999999999 110.83 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -67.92 -40.43 83.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.815 -0.63 . . . . 0.69999999999999996 110.266 172.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.12 -34.62 72.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.019 -0.537 . . . . 0.82999999999999996 111.114 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.747 ' CD2' ' HA ' ' A' ' 20' ' ' ARG . 6.4 m-85 -61.26 -46.57 89.82 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.396 -0.594 . . . . 2.9900000000000002 109.396 176.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . . . -53.02 -36.32 60.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.754 -0.657 . . . . 1.1399999999999999 111.21 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.66 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 44.0 mt -84.04 -51.77 13.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.007 -0.997 . . . . 0.96999999999999997 110.025 -174.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.459 HG23 HG23 ' A' ' 50' ' ' ILE . 74.6 mt -63.13 -54.14 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.101 -0.5 . . . . 0.78000000000000003 111.066 179.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 23' ' ' TYR . 22.4 mm-40 -62.14 -56.87 14.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.039 0.755 . . . . 1.5800000000000001 113.039 -173.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -76.45 -46.82 25.25 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.879 -0.328 . . . . 1.98 111.856 -170.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.66 ' HB2' ' O ' ' A' ' 25' ' ' ILE . 10.5 mp -57.87 -32.52 67.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.982 -0.287 . . . . 0.69999999999999996 110.907 176.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -58.31 -58.1 9.98 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.105 0.478 . . . . 1.4099999999999999 110.897 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.45 -26.32 64.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.881 -0.6 . . . . 1.98 110.704 -178.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' A' ' 29' ' ' LEU . 8.2 tt0 -59.23 -40.2 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.879 -0.6 . . . . 1.9199999999999999 110.137 173.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.612 HD21 HD12 ' A' ' 46' ' ' LEU . 60.8 mt -65.74 -40.1 91.78 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.851 -0.613 . . . . 1.22 109.992 176.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -67.04 -26.04 66.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.769 -0.65 . . . . 3.4900000000000002 110.326 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -86.26 -11.54 52.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.09 0.471 . . . . 2.6800000000000002 110.924 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.57 39.16 50.32 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.868 -0.606 . . . . 0.53000000000000003 112.336 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.97 -52.44 44.96 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.067 -0.587 . . . . 0.52000000000000002 112.978 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 3.6 mm? -92.31 176.56 6.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.624 0.25 . . . . 0.82999999999999996 110.451 -178.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -72.25 158.55 35.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.174 -0.676 . . . . 1.4199999999999999 109.174 173.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -52.09 -49.55 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.694 0.257 . . . . 1.6299999999999999 111.694 -173.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.69 -42.45 83.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.107 0.479 . . . . 2.2000000000000002 110.975 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 38' ' ' LEU . . . -73.3 -32.93 64.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.868 -0.605 . . . . 0.54000000000000004 110.963 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.483 ' HA ' HD22 ' A' ' 33' ' ' LEU . 39.4 mt-30 -61.21 -66.28 0.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 1.5600000000000001 111.451 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -51.08 -31.99 20.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.722 -0.672 . . . . 2.3599999999999999 111.222 176.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -64.15 -40.24 95.72 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.368 -0.378 . . . . 1.04 110.932 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.612 HD12 HD21 ' A' ' 33' ' ' LEU . 23.0 mt -62.93 -41.51 99.5 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.661 0.267 . . . . 1.28 110.385 176.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.69 -40.88 93.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.079 -0.51 . . . . 1.76 110.847 -177.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.4 t -63.13 -43.64 99.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.194 0.521 . . . . 0.48999999999999999 110.255 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' B' ' 52' ' ' CYS . . . -61.58 -43.47 98.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.592 -0.731 . . . . 0.47999999999999998 110.981 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.459 HG23 HG23 ' A' ' 26' ' ' ILE . 70.7 mt -57.24 -46.6 84.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.645 . . . . 0.60999999999999999 111.425 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -60.84 -39.57 89.56 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.278 0.561 . . . . 1.8400000000000001 110.657 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' B' ' 49' ' ' ALA . 67.6 m -70.5 -40.64 73.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.663 -0.699 . . . . 0.68999999999999995 110.741 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 86.8 mt -64.44 -40.45 95.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.455 -0.339 . . . . 0.76000000000000001 110.557 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 35.6 tt0 -58.24 -50.1 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 1.6499999999999999 110.382 176.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -65.72 -30.66 71.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.635 -0.711 . . . . 1.1599999999999999 111.065 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.71 -60.18 2.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.54 . . . . 1.1499999999999999 111.876 -177.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -69.25 -17.84 63.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 2.0499999999999998 111.232 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.73 15.31 81.44 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.944 -0.646 . . . . 2.6000000000000001 111.912 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.604 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 30.0 m -97.97 142.42 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.026 0.441 . . . . 1.3500000000000001 110.76 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.0 p -122.09 -170.55 2.08 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.697 -0.683 . . . . 2.3799999999999999 110.421 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.89 -29.82 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.793 0.33 . . . . 2.21 110.579 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.51 -45.02 73.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.344 0.593 . . . . 4.0099999999999998 110.496 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.677 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.8 m-20 -65.27 -42.43 93.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.788 -0.642 . . . . 3.6200000000000001 109.341 176.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.6 m -69.3 -11.27 60.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.617 -0.719 . . . . 2.9100000000000001 110.804 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.26 -36.33 40.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.266 -0.425 . . . . 3.46 110.656 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.8 pp -69.04 -47.11 66.2 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.964 -0.754 . . . . 1.8700000000000001 108.964 175.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . . . 45.71 -164.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.947 1.091 . . . . 1.53 113.947 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.496 HD13 ' O ' ' B' ' 80' ' ' ALA . 94.0 mt -123.15 127.5 25.63 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 114.272 -1.331 . . . . 1.55 109.125 172.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -52.47 -42.22 62.67 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 124.279 3.319 . . . . 2.7400000000000002 113.809 -173.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.633 ' CG ' HD11 ' A' ' 75' ' ' ILE . 5.1 pm0 -87.16 139.59 30.41 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.956 -0.757 . . . . 2.75 108.956 176.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.2 p -67.69 135.86 53.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.495 0.664 . . . . 1.55 110.823 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 68' ' ' LEU . 2.5 mm? -80.19 -48.02 1.32 Allowed Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.204 -0.907 . . . . 1.79 112.87 -170.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.02 -32.1 46.97 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.424 1.416 . . . . 1.0700000000000001 111.925 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.98 -44.59 65.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.928 -0.578 . . . . 2.2799999999999998 110.557 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.633 HD11 ' CG ' ' A' ' 70' ' ' GLN . 44.6 mt -61.18 -42.2 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-O 121.184 0.516 . . . . 1.3799999999999999 109.7 173.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.542 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 14.5 m-30 -67.95 -17.28 64.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.542 -0.754 . . . . 2.3599999999999999 110.154 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -74.76 -41.38 60.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 2.52 109.647 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.36 -61.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.829 -0.623 . . . . 0.65000000000000002 112.095 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.72 -42.04 35.71 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.823 0.675 . . . . 0.98999999999999999 112.823 -169.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -61.62 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.753 0.279 . . . . 1.5600000000000001 111.753 -173.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.1 t -89.04 15.74 8.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.211 0.529 . . . . 2.3300000000000001 110.627 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.87 -163.06 9.62 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.711 -0.677 . . . . 2.5899999999999999 111.489 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.576 -0.726 . . . . 4.4100000000000001 109.958 -179.744 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.939 0.399 . . . . 3.6800000000000002 110.306 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -118.97 126.04 50.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 2.4199999999999999 110.944 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -66.34 -21.58 66.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.832 -0.622 . . . . 2.52 110.167 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -58.36 -48.07 81.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.789 -0.641 . . . . 1.8899999999999999 110.792 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -69.14 -41.34 77.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.332 0.587 . . . . 1.49 110.072 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.763 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . 98.7 mtt180 -67.64 -31.33 71.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.311 -0.859 . . . . 2.3399999999999999 110.771 -175.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 14.9 tp -67.73 -40.62 84.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.625 . . . . 0.69999999999999996 110.221 172.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.58 72.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.016 -0.538 . . . . 0.82999999999999996 111.051 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.763 ' CD2' ' HA ' ' B' ' 20' ' ' ARG . 6.5 m-85 -61.23 -46.67 89.43 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 109.369 -0.604 . . . . 2.9900000000000002 109.369 176.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.04 -36.21 60.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.673 -0.694 . . . . 1.1399999999999999 111.264 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.679 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 43.9 mt -84.1 -51.76 13.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.979 -1.01 . . . . 0.96999999999999997 110.017 -174.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.459 HG23 HG23 ' B' ' 50' ' ' ILE . 74.6 mt -63.14 -54.16 36.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.106 -0.497 . . . . 0.78000000000000003 111.059 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' B' ' 23' ' ' TYR . 22.2 mm-40 -62.1 -56.78 15.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.05 0.759 . . . . 1.5800000000000001 113.05 -173.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.57 -46.9 24.35 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.823 -0.351 . . . . 1.98 111.711 -170.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.679 ' HB2' ' O ' ' B' ' 25' ' ' ILE . 10.5 mp -57.7 -32.65 67.59 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.044 -0.262 . . . . 0.69999999999999996 110.868 176.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -58.21 -58.17 9.65 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.145 0.497 . . . . 1.4099999999999999 110.877 174.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -26.25 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.887 -0.597 . . . . 1.98 110.743 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' B' ' 29' ' ' LEU . 8.3 tt0 -59.27 -40.25 85.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.848 -0.615 . . . . 1.9299999999999999 110.129 173.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.607 HD21 HD12 ' B' ' 46' ' ' LEU . 61.3 mt -65.72 -40.21 91.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 1.22 110.047 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -66.87 -26.13 66.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.614 -0.721 . . . . 3.5 110.324 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -86.23 -11.58 52.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 2.6899999999999999 110.944 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.63 39.39 49.18 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.944 -0.571 . . . . 0.53000000000000003 112.206 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.28 -52.24 45.69 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 121.152 -0.547 . . . . 0.53000000000000003 113.049 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' B' ' 42' ' ' ALA . 3.6 mm? -92.34 176.75 6.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.818 -0.225 . . . . 0.82999999999999996 110.498 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.0 t -72.51 158.53 35.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.141 -0.689 . . . . 1.4199999999999999 109.141 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -52.16 -49.52 63.6 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.681 0.252 . . . . 1.6299999999999999 111.681 -173.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.55 -42.51 83.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.156 0.503 . . . . 2.21 111.086 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' HB3' ' B' ' 38' ' ' LEU . . . -73.25 -33.16 65.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.803 -0.635 . . . . 0.54000000000000004 110.924 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.483 ' HA ' HD22 ' B' ' 33' ' ' LEU . 39.5 mt-30 -61.15 -66.33 0.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.97 -0.559 . . . . 1.5700000000000001 111.396 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -51.09 -31.79 20.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.697 -0.683 . . . . 2.3599999999999999 111.321 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -64.22 -40.49 96.15 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.412 -0.358 . . . . 1.04 110.795 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.607 HD12 HD21 ' B' ' 33' ' ' LEU . 22.9 mt -62.71 -41.54 99.2 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.613 0.245 . . . . 1.28 110.458 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.68 -40.73 93.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.057 -0.52 . . . . 1.75 110.762 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.33 -43.56 98.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.122 0.487 . . . . 0.48999999999999999 110.166 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.418 ' HB2' ' HB2' ' A' ' 52' ' ' CYS . . . -61.66 -43.43 98.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.541 -0.754 . . . . 0.47999999999999998 110.933 178.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.459 HG23 HG23 ' B' ' 26' ' ' ILE . 70.3 mt -57.43 -46.44 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.879 -0.601 . . . . 0.62 111.43 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -61.01 -39.39 89.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.18 0.514 . . . . 1.8400000000000001 110.59 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 67.9 m -70.67 -40.6 72.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.735 -0.666 . . . . 0.68999999999999995 110.758 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 86.8 mt -64.38 -40.35 95.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.528 -0.305 . . . . 0.76000000000000001 110.598 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 35.0 tt0 -58.39 -50.11 74.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 1.6599999999999999 110.325 176.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -65.4 -30.89 71.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.654 -0.703 . . . . 1.1499999999999999 111.075 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.78 -59.91 2.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.961 -0.563 . . . . 1.1399999999999999 111.868 -176.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -69.67 -17.63 63.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 2.0600000000000001 111.187 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.82 15.34 81.36 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.865 -0.683 . . . . 2.6000000000000001 111.879 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.614 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 30.1 m -98.09 142.51 14.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.103 0.478 . . . . 1.3500000000000001 110.747 -178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.2 p -122.39 -171.35 2.25 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.636 -0.711 . . . . 2.3799999999999999 110.37 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.14 -29.91 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.742 0.306 . . . . 2.21 110.622 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -68.47 -45.11 73.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.329 0.585 . . . . 4.0 110.518 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.68 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 6.9 m-20 -65.14 -42.52 93.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.755 -0.657 . . . . 3.6200000000000001 109.487 176.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 29.5 m -68.75 -12.33 61.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.535 -0.757 . . . . 2.9199999999999999 110.861 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.56 -36.22 44.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 3.46 110.571 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.8 pp -70.27 -44.44 68.43 Favored 'General case' 0 C--O 1.231 0.085 0 C-N-CA 119.827 -0.749 . . . . 1.8700000000000001 109.201 175.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.498 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . . . 43.91 -164.06 0.01 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 114.057 1.132 . . . . 1.54 114.057 171.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 80' ' ' ALA . 94.0 mt -123.11 127.53 25.63 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 114.064 -1.425 . . . . 1.5600000000000001 109.085 172.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -52.63 -42.0 65.13 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 124.187 3.258 . . . . 2.75 113.99 -173.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' GLN . . . . . 0.636 ' CG ' HD11 ' B' ' 75' ' ' ILE . 5.1 pm0 -87.31 140.15 29.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.886 -0.783 . . . . 2.7599999999999998 108.886 176.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 20.5 p -69.3 141.11 54.4 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.918 -0.713 . . . . 1.55 109.882 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' B' ' 68' ' ' LEU . 2.5 mm? -83.22 -48.42 0.77 Allowed Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.106 -0.952 . . . . 1.79 112.753 -170.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' B' ' 72' ' ' LEU . 51.6 Cg_exo -51.92 -32.3 46.93 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.457 1.438 . . . . 1.0600000000000001 111.715 174.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -70.92 -44.51 66.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.875 -0.602 . . . . 2.27 110.619 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.636 HD11 ' CG ' ' B' ' 70' ' ' GLN . 44.8 mt -61.16 -42.22 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-O 121.272 0.558 . . . . 1.3700000000000001 109.695 173.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.556 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 14.6 m-30 -67.83 -17.67 64.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.577 -0.738 . . . . 2.3700000000000001 110.108 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -74.35 -42.43 59.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.635 -0.711 . . . . 2.5099999999999998 109.49 175.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.03 -61.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.875 -0.602 . . . . 0.64000000000000001 112.349 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.89 -41.95 34.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.842 0.682 . . . . 0.98999999999999999 112.842 -169.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -61.69 -46.18 90.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.719 0.266 . . . . 1.55 111.719 -173.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 t -89.03 16.01 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.24 0.543 . . . . 2.3300000000000001 110.581 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -137.04 -163.02 9.58 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.475 -0.65 . . . . 2.5899999999999999 111.475 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.646 -0.692 . . . . 4.4000000000000004 110.045 -179.674 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 121.107 0.48 . . . . 2.3999999999999999 110.031 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 2.8 p-10 -87.28 -15.36 38.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.07 0.396 . . . . 2.52 112.07 -175.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 12.3 mptt -77.88 -32.46 51.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.929 0.395 . . . . 1.8999999999999999 110.644 -175.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.584 ' HE3' ' O ' ' A' ' 58' ' ' GLY . 20.2 ptmt -70.41 -45.81 65.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.551 -0.295 . . . . 1.49 110.716 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.42 ' O ' ' HD2' ' A' ' 23' ' ' TYR . 27.1 mtm180 -67.3 -23.17 65.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.589 0.709 . . . . 2.3399999999999999 109.442 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 5.5 tp -62.11 -60.98 2.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.941 -1.027 . . . . 0.69999999999999996 110.344 171.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.516 ' HB3' HG11 ' A' ' 59' ' ' VAL . . . -69.54 -35.09 75.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.033 0.383 . . . . 0.82999999999999996 112.033 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' HA ' ' HG1' ' A' ' 60' ' ' THR . 0.0 OUTLIER -54.82 -44.61 74.03 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.228 0.537 . . . . 2.9900000000000002 110.261 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . . . -72.36 -36.03 68.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.75 -0.659 . . . . 1.1399999999999999 110.891 -176.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.55 -42.77 93.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.719 -0.673 . . . . 0.96999999999999997 110.427 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.609 HD11 ' CD1' ' A' ' 53' ' ' LEU . 74.3 mt -59.22 -40.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.049 -0.523 . . . . 0.78000000000000003 111.009 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.39 -43.58 96.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.373 -0.376 . . . . 1.5800000000000001 111.029 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -72.49 -46.14 56.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 1.98 111.132 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.702 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.8 mp -60.37 -45.59 92.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.555 -0.293 . . . . 0.69999999999999996 110.687 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -56.46 -38.28 71.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 1.4099999999999999 110.34 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.68 -48.42 59.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.721 -0.672 . . . . 1.98 110.745 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 2.5 pt20 -65.45 -33.45 75.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.9199999999999999 110.5 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 45.4 mt -62.57 -47.34 84.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.718 0.294 . . . . 1.22 110.401 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.3 mmt-85 -68.79 -27.32 65.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.377 -0.374 . . . . 3.4900000000000002 110.89 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -87.33 3.68 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.398 -0.365 . . . . 2.6800000000000002 111.426 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.27 34.74 81.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.172 -0.537 . . . . 0.53000000000000003 113.114 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.49 -53.43 35.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.046 -0.597 . . . . 0.52000000000000002 111.975 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.74 151.94 20.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.579 -0.526 . . . . 0.82999999999999996 109.579 176.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 t -65.51 157.38 29.78 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 123.348 0.405 . . . . 1.4199999999999999 110.03 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 p -43.62 -49.13 7.72 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.92 1.082 . . . . 1.6299999999999999 113.92 -170.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.67 -52.91 62.38 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.951 0.405 . . . . 2.2000000000000002 110.925 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.86 79.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.779 -0.646 . . . . 0.54000000000000004 110.793 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.489 ' HA ' HD22 ' A' ' 33' ' ' LEU . 7.4 tt0 -59.29 -58.45 8.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.177 -0.92 . . . . 1.5600000000000001 110.562 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.583 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.0 mt-10 -65.3 -33.91 77.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.979 -0.555 . . . . 2.3599999999999999 110.659 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.9 t -64.68 -38.97 92.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.876 -0.602 . . . . 1.04 111.138 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.598 HD12 HD21 ' A' ' 33' ' ' LEU . 17.9 mt -61.6 -41.1 96.97 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.905 -0.318 . . . . 1.28 110.284 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 71.2 tt0 -67.41 -38.29 84.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 1.76 110.523 -178.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 44' ' ' GLU . 58.0 t -56.11 -51.31 63.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.337 0.589 . . . . 0.48999999999999999 109.424 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.603 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -57.51 -49.01 77.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.952 -1.022 . . . . 0.47999999999999998 110.975 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 29' ' ' LEU . 44.7 mt -53.64 -49.79 54.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.338 -0.847 . . . . 0.60999999999999999 111.495 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 14.4 mm100 -58.55 -43.83 89.42 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.226 0.536 . . . . 1.8400000000000001 110.651 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.6 m -65.34 -52.93 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.479 -0.782 . . . . 0.68999999999999995 111.02 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.609 ' CD1' HD11 ' A' ' 26' ' ' ILE . 2.9 pp -78.96 -20.44 49.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.757 0.651 . . . . 0.76000000000000001 112.757 -173.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.576 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 27.1 tt0 -67.83 -38.06 82.74 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.388 -0.597 . . . . 1.6499999999999999 109.388 177.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -73.98 -26.36 60.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.285 -0.871 . . . . 1.1599999999999999 110.904 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' B' ' 45' ' ' SER . . . -88.05 -44.48 10.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.043 0.757 . . . . 1.1499999999999999 113.043 -173.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -77.61 -17.52 57.71 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.354 -0.839 . . . . 2.0499999999999998 112.585 -164.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.584 ' O ' ' HE3' ' A' ' 19' ' ' LYS . . . 77.87 54.44 4.52 Favored Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 109.794 -1.322 . . . . 2.6000000000000001 109.794 -170.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.576 ' CG2' ' HA ' ' A' ' 54' ' ' GLU . 29.3 m -137.51 -144.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.348 -0.426 . . . . 1.3500000000000001 112.141 -166.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.594 ' HG1' ' HA ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -41.54 -167.24 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 118.465 2.765 . . . . 2.3799999999999999 118.465 -159.661 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.534 ' HA ' ' HB3' ' A' ' 64' ' ' SER . 7.9 p 9.61 -38.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 116.733 2.123 . . . . 2.21 116.733 -134.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.0 mm-40 -72.79 -59.33 2.76 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 122.674 1.226 . . . . 4.0099999999999998 109.102 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.546 ' HB2' ' C ' ' A' ' 59' ' ' VAL . 6.3 m-20 -77.98 6.46 7.75 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.229 -0.896 . . . . 3.6200000000000001 110.13 177.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.534 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 9.5 t -86.84 -22.87 25.54 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.622 -0.881 . . . . 2.9100000000000001 108.622 167.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 23.0 t70 -62.87 -36.77 84.38 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.375 -0.602 . . . . 3.46 109.375 171.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.53 HD21 ' OD2' ' A' ' 63' ' ' ASP . 3.9 pp -85.46 30.72 0.61 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 120.346 -0.542 . . . . 1.8700000000000001 111.627 174.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -48.23 153.43 0.71 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.315 1.228 . . . . 1.53 114.315 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.96 163.51 18.62 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 114.629 -1.169 . . . . 1.55 110.128 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -53.46 -51.77 10.15 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.938 2.425 . . . . 2.7400000000000002 113.771 -176.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -120.14 168.45 11.2 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.187 -0.301 . . . . 2.75 110.187 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.7 p -77.93 139.97 39.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.295 0.569 . . . . 1.55 110.228 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.673 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 4.1 mm? -68.83 -44.75 31.45 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.394 -0.821 . . . . 1.79 111.43 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.614 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 68.0 Cg_exo -47.11 -34.61 17.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.167 1.911 . . . . 1.0700000000000001 113.431 173.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.42 -48.05 74.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.086 0.47 . . . . 2.2799999999999998 109.944 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.506 HD12 HD13 ' A' ' 72' ' ' LEU . 81.2 mt -58.27 -38.25 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.464 0.649 . . . . 1.3799999999999999 109.768 174.052 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.673 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 14.6 m-30 -69.33 -27.53 65.45 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.41 -0.813 . . . . 2.3599999999999999 110.58 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 50.8 mt-10 -65.6 -26.56 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 2.52 110.04 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.85 -48.39 8.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.961 -0.563 . . . . 0.65000000000000002 111.226 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.23 39.66 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.659 0.614 . . . . 0.98999999999999999 112.659 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.0 -11.25 60.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.928 0.344 . . . . 1.5600000000000001 111.928 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.441 ' HA ' ' SD ' ' B' ' 15' ' ' MET . 18.5 p -90.8 -12.72 35.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.195 0.521 . . . . 2.3300000000000001 110.363 174.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.71 154.74 21.04 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.854 -0.612 . . . . 2.5899999999999999 111.694 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.229 -0.891 . . . . 4.4100000000000001 110.202 -178.321 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.441 ' SD ' ' HA ' ' A' ' 81' ' ' THR . 51.7 ttm . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.708 0.29 . . . . 3.6800000000000002 110.446 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -78.53 84.79 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.152 0.501 . . . . 2.4199999999999999 110.147 177.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 2.9 p-10 -86.01 -15.95 39.8 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.262 0.467 . . . . 2.52 112.262 -175.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 12.3 mptt -77.69 -32.59 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 1.8899999999999999 110.684 -175.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.615 ' HE3' ' O ' ' B' ' 58' ' ' GLY . 20.3 ptmt -70.18 -45.82 65.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.494 -0.321 . . . . 1.49 110.8 177.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.412 ' O ' ' HD2' ' B' ' 23' ' ' TYR . 27.1 mtm180 -67.4 -23.17 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.516 0.675 . . . . 2.3399999999999999 109.415 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.536 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 5.5 tp -62.05 -60.96 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.912 -1.04 . . . . 0.69999999999999996 110.487 171.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.539 ' HB3' HG11 ' B' ' 59' ' ' VAL . . . -69.62 -34.95 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.403 . . . . 0.82999999999999996 112.008 -175.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.674 ' HA ' ' HG1' ' B' ' 60' ' ' THR . 0.0 OUTLIER -54.88 -44.61 74.23 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.169 0.509 . . . . 2.9900000000000002 110.272 179.391 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' B' ' 72' ' ' LEU . . . -72.29 -36.21 68.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.749 -0.66 . . . . 1.1399999999999999 110.914 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.58 -42.75 93.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.695 -0.684 . . . . 0.96999999999999997 110.363 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.612 HD11 ' CD1' ' B' ' 53' ' ' LEU . 74.8 mt -59.15 -40.84 81.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.116 -0.493 . . . . 0.78000000000000003 110.983 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.43 -43.38 96.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 1.5800000000000001 111.098 177.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -72.53 -46.14 55.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.253 -0.43 . . . . 1.98 111.158 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.696 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 8.8 mp -60.42 -45.55 93.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.578 -0.283 . . . . 0.69999999999999996 110.636 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -56.51 -38.27 71.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.984 0.421 . . . . 1.4099999999999999 110.293 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.77 -48.4 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 1.98 110.713 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' B' ' 29' ' ' LEU . 2.6 pt20 -65.57 -33.23 75.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 1.9299999999999999 110.484 -178.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 29' ' ' LEU . 44.8 mt -62.82 -47.11 84.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.514 -0.312 . . . . 1.22 110.369 178.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -68.76 -27.41 65.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 3.5 110.864 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -87.38 3.52 46.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 2.6899999999999999 111.373 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.54 34.66 79.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.232 -0.509 . . . . 0.53000000000000003 113.065 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.6 -53.42 35.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.07 -0.586 . . . . 0.53000000000000003 111.941 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.82 151.84 20.4 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.497 -0.557 . . . . 0.82999999999999996 109.497 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.7 t -65.51 157.37 29.79 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.414 0.446 . . . . 1.4199999999999999 109.892 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 6.2 p -43.5 -49.23 7.38 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.925 1.083 . . . . 1.6299999999999999 113.925 -170.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -61.63 -53.02 61.82 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.026 0.441 . . . . 2.21 110.929 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.75 78.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.715 -0.675 . . . . 0.54000000000000004 110.775 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.485 ' HA ' HD22 ' B' ' 33' ' ' LEU . 7.4 tt0 -59.54 -58.12 9.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.156 -0.929 . . . . 1.5700000000000001 110.64 -177.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 48' ' ' VAL . 41.0 mt-10 -65.51 -34.03 77.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.992 -0.549 . . . . 2.3599999999999999 110.586 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 56' ' ' ALA . 11.1 t -64.62 -38.81 92.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.891 -0.595 . . . . 1.04 111.164 -177.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.613 HD12 HD21 ' B' ' 33' ' ' LEU . 17.9 mt -61.75 -41.07 97.19 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.874 -0.33 . . . . 1.28 110.261 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 70.8 tt0 -67.38 -38.34 84.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.259 -0.428 . . . . 1.75 110.564 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 44' ' ' GLU . 58.7 t -55.99 -51.34 62.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.415 -0.587 . . . . 0.48999999999999999 109.415 173.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.615 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -57.51 -49.2 77.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.99 -1.005 . . . . 0.47999999999999998 110.955 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.45 HD11 ' HB3' ' B' ' 29' ' ' LEU . 45.2 mt -53.39 -49.91 51.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.333 -0.849 . . . . 0.62 111.514 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 14.5 mm100 -58.5 -43.89 89.22 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.15 0.5 . . . . 1.8400000000000001 110.647 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 58.5 m -65.19 -52.99 51.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.518 -0.765 . . . . 0.68999999999999995 111.117 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 2.9 pp -78.88 -20.55 49.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 112.732 0.641 . . . . 0.76000000000000001 112.732 -173.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.595 ' HA ' ' CG2' ' B' ' 59' ' ' VAL . 27.3 tt0 -67.85 -37.85 82.38 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.399 -0.593 . . . . 1.6599999999999999 109.399 177.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -74.34 -26.03 59.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.323 -0.853 . . . . 1.1499999999999999 110.894 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' B' ' 53' ' ' LEU . . . -88.16 -44.64 10.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.935 0.717 . . . . 1.1399999999999999 112.935 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' B' ' 53' ' ' LEU . 0.2 OUTLIER -77.63 -18.1 57.1 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.344 -0.844 . . . . 2.0600000000000001 112.732 -164.801 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLY . . . . . 0.615 ' O ' ' HE3' ' B' ' 19' ' ' LYS . . . 77.74 56.04 3.98 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 110.266 -1.133 . . . . 2.6000000000000001 110.266 -171.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.595 ' CG2' ' HA ' ' B' ' 54' ' ' GLU . 35.6 m -139.51 -150.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 C-N-CA 124.855 1.262 . . . . 1.3500000000000001 110.613 -161.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' THR . . . . . 0.674 ' HG1' ' HA ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -50.59 -160.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 128.641 2.777 . . . . 2.3799999999999999 114.775 -153.866 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.677 ' HA ' ' HB3' ' B' ' 64' ' ' SER . 14.5 p -18.34 -17.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 118.165 2.654 . . . . 2.21 118.165 -114.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' B' ' 65' ' ' ASP . 29.0 mm-40 -75.77 -58.57 3.2 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 120.577 1.535 . . . . 4.0 109.377 167.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.534 ' OD2' HD21 ' B' ' 66' ' ' LEU . 6.4 m-20 -77.22 4.47 10.44 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.289 -0.868 . . . . 3.6200000000000001 110.139 177.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.677 ' HB3' ' HA ' ' B' ' 61' ' ' VAL . 9.2 t -85.53 -23.29 27.77 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.748 -0.834 . . . . 2.9199999999999999 108.748 168.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' B' ' 62' ' ' GLU . 22.9 t70 -62.23 -36.89 83.36 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.574 -0.528 . . . . 3.46 109.574 170.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.534 HD21 ' OD2' ' B' ' 63' ' ' ASP . 3.9 pp -84.46 28.13 0.67 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 120.644 -0.422 . . . . 1.8700000000000001 112.052 174.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' B' ' 64' ' ' SER . . . -46.23 153.05 0.36 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.581 1.326 . . . . 1.54 114.581 -175.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 82.1 mt -98.97 163.4 18.82 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 114.554 -1.203 . . . . 1.5600000000000001 110.194 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -54.02 -50.28 14.19 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.746 2.298 . . . . 2.75 113.997 -175.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -121.14 168.06 11.98 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 110.093 -0.336 . . . . 2.7599999999999998 110.093 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 36.6 p -77.62 143.53 38.17 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.323 0.582 . . . . 1.55 109.853 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.67 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 4.1 mm? -71.72 -44.52 12.15 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.377 -0.829 . . . . 1.79 111.15 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.599 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 67.4 Cg_exo -46.89 -34.87 17.06 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.298 1.999 . . . . 1.0600000000000001 113.333 173.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.41 -47.85 74.86 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.134 0.492 . . . . 2.27 110.082 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.52 HD12 HD13 ' B' ' 72' ' ' LEU . 81.2 mt -58.42 -38.27 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.505 0.669 . . . . 1.3700000000000001 109.694 174.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.67 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 14.5 m-30 -69.35 -27.38 65.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.372 -0.831 . . . . 2.3700000000000001 110.602 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.599 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 50.5 mt-10 -65.74 -26.5 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 2.5099999999999998 110.011 176.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.72 -48.74 8.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.91 -0.586 . . . . 0.64000000000000001 111.215 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.39 -46.49 39.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.633 0.605 . . . . 0.98999999999999999 112.633 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.23 -12.33 60.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.978 0.362 . . . . 1.55 111.978 -172.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 19.2 p -90.07 -12.57 38.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.12 0.486 . . . . 2.3300000000000001 110.491 174.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.68 155.08 21.14 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.869 -0.605 . . . . 2.5899999999999999 111.644 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 tttm . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.389 -0.815 . . . . 4.4000000000000004 110.069 -178.506 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t70 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.845 0.355 . . . . 2.3999999999999999 110.489 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 64.2 t30 -82.14 -25.44 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.989 -0.551 . . . . 2.52 111.068 -177.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HA ' HD23 ' A' ' 21' ' ' LEU . 45.7 mmtm -67.93 -47.35 68.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.433 -0.348 . . . . 1.8999999999999999 111.398 -173.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -42.1 87.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.334 -0.394 . . . . 1.49 110.933 177.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.471 ' HA ' ' OD1' ' A' ' 63' ' ' ASP . 65.7 mtp180 -73.58 -42.56 61.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.073 0.463 . . . . 2.3399999999999999 111.118 -176.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.615 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -56.89 -49.72 74.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.61 0.719 . . . . 0.69999999999999996 110.0 176.337 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.615 ' N ' ' HG ' ' A' ' 21' ' ' LEU . . . -77.91 -14.06 59.68 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.344 -0.843 . . . . 0.82999999999999996 110.867 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.494 ' O ' ' HB ' ' A' ' 26' ' ' ILE . 9.0 t80 -61.0 -43.87 98.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.329 0.585 . . . . 2.9900000000000002 109.8 170.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.9 67.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.189 0.519 . . . . 1.1399999999999999 109.932 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' A' ' 22' ' ' ALA . 49.4 mt -63.4 -34.35 66.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.483 -0.781 . . . . 0.96999999999999997 110.117 172.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.776 HD11 ' C ' ' A' ' 58' ' ' GLY . 77.5 mt -55.71 -53.8 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.402 -0.363 . . . . 0.78000000000000003 110.72 175.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -53.17 -46.57 68.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.66 -0.7 . . . . 1.5800000000000001 111.654 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.426 ' CE2' ' HE2' ' B' ' 18' ' ' LYS . 54.7 t80 -73.87 -50.2 21.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.417 -0.356 . . . . 1.98 111.168 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.0 mp -65.3 -29.93 70.74 Favored 'General case' 0 C--O 1.222 -0.345 0 N-CA-C 111.719 0.266 . . . . 0.69999999999999996 111.719 -176.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.83 -45.79 77.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.409 . . . . 1.4099999999999999 110.107 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.31 -44.59 75.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.419 0.628 . . . . 1.98 110.176 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 29' ' ' LEU . 11.7 tt0 -57.01 -46.48 82.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.782 -1.099 . . . . 1.9199999999999999 111.473 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -64.25 -42.16 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 1.22 110.244 -177.475 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.02 -28.33 68.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 3.4900000000000002 111.007 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -86.85 -11.36 51.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.169 -0.468 . . . . 2.6800000000000002 110.769 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.426 ' HA2' ' NE2' ' A' ' 43' ' ' GLN . . . 74.63 41.74 34.53 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.888 -0.673 . . . . 0.53000000000000003 111.947 -177.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.94 -44.26 97.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.185 -0.531 . . . . 0.52000000000000002 113.187 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.535 ' HG ' ' HB1' ' B' ' 56' ' ' ALA . 4.2 mm? -93.55 -174.42 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.004 0.43 . . . . 0.82999999999999996 111.785 -178.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 m -69.15 167.2 16.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.586 -0.733 . . . . 1.4199999999999999 111.151 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 p -59.28 -55.79 30.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.599 0.592 . . . . 1.6299999999999999 112.599 -172.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.35 -43.29 95.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.935 0.398 . . . . 2.2000000000000002 110.612 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.619 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -59.49 -39.6 84.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.691 -0.686 . . . . 0.54000000000000004 110.841 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.467 ' O ' HD21 ' A' ' 33' ' ' LEU . 59.7 tt0 -55.71 -56.63 18.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 1.5600000000000001 111.17 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.97 -33.15 73.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.425 0.631 . . . . 2.3599999999999999 110.206 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.469 ' HB3' ' SG ' ' B' ' 52' ' ' CYS . 44.1 m -72.55 -40.97 66.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.29 -0.868 . . . . 1.04 111.602 -177.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 23.4 mt -58.88 -33.4 70.46 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 121.03 -0.268 . . . . 1.28 110.352 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.35 -51.8 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.849 -0.426 . . . . 1.76 109.849 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.2 t -56.63 -42.34 76.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.996 -0.547 . . . . 0.48999999999999999 110.138 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.716 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -58.06 -42.9 86.46 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.475 -0.784 . . . . 0.47999999999999998 110.439 176.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 46' ' ' LEU . 73.6 mt -61.46 -34.31 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.60999999999999999 111.424 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 1.8 mp0 -63.54 -46.02 87.92 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.872 0.844 . . . . 1.8400000000000001 109.876 174.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' B' ' 45' ' ' SER . 31.1 m -60.34 -42.75 96.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.903 -1.044 . . . . 0.68999999999999995 109.988 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 57.5 mt -64.64 -39.11 93.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.064 -0.971 . . . . 0.76000000000000001 110.049 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HB3' ' O ' ' A' ' 51' ' ' GLN . 43.5 tt0 -50.33 -27.98 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.151 0.58 . . . . 1.6499999999999999 111.634 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 m -83.36 -51.08 7.71 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.325 -0.55 . . . . 1.1599999999999999 112.126 172.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.52 ' HB1' ' HG ' ' B' ' 38' ' ' LEU . . . -104.05 -43.71 5.2 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.957 1.836 . . . . 1.1499999999999999 115.957 -169.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.492 ' O ' ' HB3' ' A' ' 53' ' ' LEU . 19.4 t80 -153.02 66.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.923 0.392 . . . . 2.0499999999999998 111.569 -150.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.776 ' C ' HD11 ' A' ' 26' ' ' ILE . . . 112.92 47.92 0.64 Allowed Glycine 0 C--N 1.292 -1.87 0 N-CA-C 105.95 -2.86 . . . . 2.6000000000000001 105.95 -158.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.493 ' N ' HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -74.16 -167.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-N 108.495 -3.853 . . . . 1.3500000000000001 114.709 -168.25 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 p -71.86 179.03 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 2.3799999999999999 111.462 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 64' ' ' SER . 13.5 p -75.47 -5.81 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.44 0.638 . . . . 2.21 110.846 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.47 -37.3 85.41 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.622 0.725 . . . . 4.0099999999999998 109.262 173.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.471 ' OD1' ' HA ' ' A' ' 20' ' ' ARG . 8.2 t70 -66.2 -27.5 68.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.092 -0.958 . . . . 3.6200000000000001 109.758 177.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 15.0 t -64.6 -27.87 69.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 2.9100000000000001 109.966 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -67.04 -42.15 85.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.418 . . . . 3.46 110.135 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.02 33.48 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.403 -0.362 . . . . 1.8700000000000001 110.903 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.28 159.23 3.65 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.138 0.792 . . . . 1.53 113.138 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.8 mt -81.3 149.16 65.03 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.268 -0.878 . . . . 1.55 110.666 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.77 -23.64 76.95 Favored 'Trans proline' 0 N--CA 1.476 0.456 0 C-N-CA 124.175 3.25 . . . . 2.7400000000000002 114.044 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.585 HE21 ' HA ' ' B' ' 80' ' ' ALA . 17.2 pt20 -128.93 156.05 44.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.993 -0.373 . . . . 2.75 109.993 -173.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 p -79.21 134.69 36.67 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.773 -0.825 . . . . 1.55 108.773 170.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.631 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 4.4 mm? -80.61 -44.16 1.31 Allowed Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 115.796 -0.638 . . . . 1.79 112.549 -173.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.568 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 75.6 Cg_exo -47.87 -35.0 23.45 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.897 1.732 . . . . 1.0700000000000001 113.292 173.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.28 -41.82 80.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 2.2799999999999998 110.203 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 75' ' ' ILE . 27.3 mm -61.52 -40.04 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.714 -0.675 . . . . 1.3799999999999999 110.531 175.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.631 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 13.0 m-30 -61.72 -33.64 74.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.612 -0.722 . . . . 2.3599999999999999 110.477 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -71.36 -31.44 67.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.152 -0.477 . . . . 2.52 111.157 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.85 -64.04 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.202 0.445 . . . . 0.65000000000000002 112.202 -175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.35 93.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.876 0.369 . . . . 0.98999999999999999 111.933 -171.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.62 ' HA ' ' NE2' ' B' ' 70' ' ' GLN . . . -72.93 -13.52 61.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 1.5600000000000001 112.15 -173.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.1 t -107.49 -4.7 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.829 -0.348 . . . . 2.3300000000000001 110.789 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.78 120.45 0.81 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.878 -0.677 . . . . 2.5899999999999999 112.041 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.671 -0.681 . . . . 4.4100000000000001 110.473 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.933 0.397 . . . . 3.6800000000000002 110.424 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -86.71 133.92 33.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 2.4199999999999999 110.57 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 64.4 t30 -82.11 -25.57 34.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.013 -0.54 . . . . 2.52 111.104 -177.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.443 ' HA ' HD23 ' B' ' 21' ' ' LEU . 45.6 mmtm -67.85 -47.45 68.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.519 -0.309 . . . . 1.8899999999999999 111.303 -172.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -42.23 87.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.32 -0.4 . . . . 1.49 110.937 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 65.4 mtp180 -73.33 -42.86 61.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.17 0.51 . . . . 2.3399999999999999 111.201 -176.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.637 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 0.1 OUTLIER -56.67 -49.79 74.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.722 0.772 . . . . 0.69999999999999996 110.068 176.403 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.637 ' N ' ' HG ' ' B' ' 21' ' ' LEU . . . -77.71 -14.99 59.45 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.223 -0.899 . . . . 0.82999999999999996 110.807 -175.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.496 ' O ' ' HB ' ' B' ' 26' ' ' ILE . 9.1 t80 -60.18 -43.93 95.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.277 0.561 . . . . 2.9900000000000002 109.856 170.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.99 67.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.295 0.569 . . . . 1.1399999999999999 109.937 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' B' ' 22' ' ' ALA . 48.8 mt -63.5 -34.37 67.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.308 -0.86 . . . . 0.96999999999999997 110.08 172.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.678 HD11 ' C ' ' B' ' 58' ' ' GLY . 77.4 mt -55.67 -53.72 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.366 -0.379 . . . . 0.78000000000000003 110.716 175.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -53.2 -46.6 69.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.812 -0.631 . . . . 1.5800000000000001 111.672 -175.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -73.9 -50.12 21.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.376 . . . . 1.98 111.228 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.536 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.0 mp -65.26 -29.91 70.73 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 111.827 0.306 . . . . 0.69999999999999996 111.827 -176.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -66.81 -45.87 76.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.982 0.42 . . . . 1.4099999999999999 110.124 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -68.33 -44.59 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 1.98 110.064 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.407 ' HB3' ' HA ' ' B' ' 29' ' ' LEU . 11.7 tt0 -56.94 -46.65 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.902 -1.045 . . . . 1.9299999999999999 111.431 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.5 OUTLIER -64.18 -42.26 96.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.865 -0.607 . . . . 1.22 110.224 -177.379 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.0 -28.27 68.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 3.5 110.935 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -86.74 -11.59 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.149 0.499 . . . . 2.6899999999999999 110.83 -178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLY . . . . . 0.44 ' HA2' ' NE2' ' B' ' 43' ' ' GLN . . . 74.64 42.02 33.6 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.952 -0.642 . . . . 0.53000000000000003 111.949 -177.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.96 -44.39 97.22 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.231 -0.509 . . . . 0.53000000000000003 113.095 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.52 ' HG ' ' HB1' ' A' ' 56' ' ' ALA . 4.2 mm? -93.3 -174.09 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.124 0.488 . . . . 0.82999999999999996 111.777 -178.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m -69.58 167.19 17.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.501 -0.772 . . . . 1.4199999999999999 111.158 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.3 p -59.53 -55.43 34.62 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.635 0.606 . . . . 1.6299999999999999 112.635 -172.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.71 -43.28 93.98 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.886 0.374 . . . . 2.21 110.487 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.603 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -59.41 -39.64 84.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.81 -0.632 . . . . 0.54000000000000004 110.828 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.464 ' O ' HD21 ' B' ' 33' ' ' LEU . 59.9 tt0 -55.61 -56.63 18.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 1.5700000000000001 111.147 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -62.25 -32.83 73.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.499 0.666 . . . . 2.3599999999999999 110.247 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' SER . . . . . 0.467 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 45.8 m -72.66 -41.08 65.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.227 -0.897 . . . . 1.04 111.525 -177.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 23.1 mt -58.83 -33.37 70.32 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 121.003 -0.279 . . . . 1.28 110.335 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.42 -51.76 68.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.769 -0.456 . . . . 1.75 109.769 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.6 t -56.65 -42.45 76.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.954 -0.566 . . . . 0.48999999999999999 110.114 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.727 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -57.96 -42.81 85.74 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.504 -0.771 . . . . 0.47999999999999998 110.495 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.541 HG13 ' O ' ' B' ' 46' ' ' LEU . 73.7 mt -61.57 -34.13 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.62 111.469 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' B' ' 54' ' ' GLU . 1.8 mp0 -63.71 -46.05 87.19 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.866 0.841 . . . . 1.8400000000000001 109.913 174.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 45' ' ' SER . 30.5 m -60.13 -42.92 95.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.934 -1.03 . . . . 0.68999999999999995 109.984 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 57.8 mt -64.4 -39.42 93.82 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.055 -0.975 . . . . 0.76000000000000001 109.905 176.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.446 ' C ' ' HA ' ' B' ' 59' ' ' VAL . 43.1 tt0 -50.02 -28.09 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.135 0.574 . . . . 1.6599999999999999 111.612 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.41 ' O ' HG12 ' B' ' 59' ' ' VAL . 8.5 m -82.36 -56.38 3.93 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.185 -0.606 . . . . 1.1499999999999999 111.755 171.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.535 ' HB1' ' HG ' ' A' ' 38' ' ' LEU . . . -94.61 -45.73 7.26 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 117.658 2.466 . . . . 1.1399999999999999 117.658 -171.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.429 ' HB3' HD22 ' B' ' 53' ' ' LEU . 11.4 t80 -148.12 49.25 1.05 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 115.28 1.585 . . . . 2.0600000000000001 115.28 -141.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLY . . . . . 0.678 ' C ' HD11 ' B' ' 26' ' ' ILE . . . 109.32 58.33 0.53 Allowed Glycine 0 CA--C 1.475 -2.433 0 N-CA-C 106.425 -2.67 . . . . 2.6000000000000001 106.425 -148.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.561 ' N ' HD11 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -87.69 -169.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.213 1 CA-C-N 106.007 -5.096 . . . . 1.3500000000000001 112.661 -167.022 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 36.2 p -69.73 179.02 2.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.364 0.602 . . . . 2.3799999999999999 111.748 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' B' ' 64' ' ' SER . 13.7 p -75.11 -6.05 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.398 0.618 . . . . 2.21 110.927 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.39 -37.2 84.85 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.676 0.751 . . . . 4.0 109.368 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.455 ' OD1' ' HA ' ' B' ' 20' ' ' ARG . 8.3 t70 -66.19 -27.62 68.13 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.092 -0.958 . . . . 3.6200000000000001 109.697 177.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' B' ' 61' ' ' VAL . 14.1 t -64.49 -27.93 69.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.892 -0.595 . . . . 2.9199999999999999 110.035 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -66.91 -41.87 86.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 3.46 110.18 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.02 29.35 4.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.234 -0.439 . . . . 1.8700000000000001 111.207 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.27 159.26 1.38 Allowed 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.366 0.876 . . . . 1.54 113.366 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 61.2 mt -81.62 149.16 63.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.21 -0.905 . . . . 1.5600000000000001 110.802 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.98 -23.19 76.87 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.009 3.139 . . . . 2.75 114.281 -176.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' GLN . . . . . 0.62 ' NE2' ' HA ' ' A' ' 80' ' ' ALA . 17.3 pt20 -129.07 156.16 44.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.964 -0.384 . . . . 2.7599999999999998 109.964 -173.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 16.4 p -79.36 140.29 37.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.836 -1.172 . . . . 1.55 107.836 170.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.638 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 4.4 mm? -83.93 -44.56 0.78 Allowed Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.666 -0.697 . . . . 1.79 112.487 -173.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' B' ' 76' ' ' PHE . 75.5 Cg_exo -47.74 -35.31 23.34 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.0 1.8 . . . . 1.0600000000000001 113.157 173.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.14 -41.59 81.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.144 0.497 . . . . 2.27 110.31 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 27.4 mm -61.78 -39.92 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 1.3700000000000001 110.495 175.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.638 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 12.9 m-30 -61.77 -33.54 74.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.628 -0.715 . . . . 2.3700000000000001 110.531 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -71.24 -32.54 68.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.191 -0.459 . . . . 2.5099999999999998 111.078 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.25 -64.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.605 0.594 . . . . 0.64000000000000001 112.605 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.02 -39.51 93.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.248 -0.433 . . . . 0.98999999999999999 111.871 -171.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.585 ' HA ' HE21 ' A' ' 70' ' ' GLN . . . -72.89 -13.59 61.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.193 -0.458 . . . . 1.55 112.045 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.2 t -107.4 -4.59 18.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.79 0.329 . . . . 2.3300000000000001 110.73 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.98 120.3 0.8 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.821 -0.704 . . . . 2.5899999999999999 112.06 -178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.748 -0.644 . . . . 4.4000000000000004 110.446 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 7.7 m-20 . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.139 -0.689 . . . . 2.3999999999999999 109.139 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 29.6 p-10 -85.44 -18.32 33.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.353 -0.385 . . . . 2.52 110.845 -177.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HD2' ' CZ ' ' B' ' 28' ' ' PHE . 31.0 mmtp -71.53 -39.63 70.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.386 -0.37 . . . . 1.8999999999999999 110.047 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.558 ' HE3' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -69.0 -20.32 64.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 1.49 110.353 174.36 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.672 ' O ' ' HB3' ' A' ' 23' ' ' TYR . 12.3 mtt180 -85.04 -13.24 51.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 2.3399999999999999 110.477 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.542 ' O ' HG12 ' A' ' 25' ' ' ILE . 14.1 tp -75.16 -35.11 61.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.985 -0.746 . . . . 0.69999999999999996 108.985 170.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.715 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -62.13 -33.64 74.86 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.534 -0.543 . . . . 0.82999999999999996 109.534 172.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.968 ' CE1' ' HB2' ' A' ' 62' ' ' GLU . 62.7 t80 -50.35 -50.25 51.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.274 -0.875 . . . . 2.9900000000000002 109.406 172.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' A' ' 72' ' ' LEU . . . -56.62 -47.02 80.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.276 -0.874 . . . . 1.1399999999999999 111.453 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 21' ' ' LEU . 9.7 mm -67.75 -55.46 16.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.075 -0.966 . . . . 0.96999999999999997 110.214 -172.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.5 HG22 HG23 ' A' ' 61' ' ' VAL . 45.0 mt -64.98 -38.25 82.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.114 -0.494 . . . . 0.78000000000000003 110.586 -176.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -62.22 -49.15 76.87 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.653 0.263 . . . . 1.5800000000000001 111.139 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' HB2' ' HG3' ' A' ' 73' ' ' PRO . 13.3 t80 -64.2 -56.14 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.259 0.552 . . . . 1.98 110.294 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.674 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.5 mp -60.88 -32.68 72.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.039 -0.982 . . . . 0.69999999999999996 111.662 -176.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -55.75 -58.25 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.114 0.483 . . . . 1.4099999999999999 111.1 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.68 -36.72 59.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.131 -0.486 . . . . 1.98 111.123 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.03 -34.03 74.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.995 0.426 . . . . 1.9199999999999999 110.121 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.674 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.46 -50.66 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.734 -0.667 . . . . 1.22 109.718 176.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 4.9 tpm_? -64.41 -31.52 72.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.63 -0.714 . . . . 3.4900000000000002 111.151 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -82.17 -12.18 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.964 0.412 . . . . 2.6800000000000002 111.057 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.69 37.71 67.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.036 -0.602 . . . . 0.53000000000000003 112.134 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 -32.44 81.91 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.257 -0.497 . . . . 0.52000000000000002 112.783 -177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.586 HD23 HD11 ' A' ' 46' ' ' LEU . 3.7 mm? -111.57 152.53 27.47 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.983 -0.377 . . . . 0.82999999999999996 109.983 177.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.2 t -71.68 171.22 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 1.4199999999999999 110.118 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 m -42.49 -57.42 2.65 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.632 0.975 . . . . 1.6299999999999999 113.632 -169.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.85 -42.24 95.05 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.138 0.494 . . . . 2.2000000000000002 111.252 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 38' ' ' LEU . . . -71.97 -35.28 69.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.033 -0.531 . . . . 0.54000000000000004 111.019 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.528 ' O ' HD21 ' A' ' 33' ' ' LEU . 9.0 tt0 -63.83 -52.68 59.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 1.5600000000000001 110.662 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.32 -27.81 69.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.959 0.409 . . . . 2.3599999999999999 110.436 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.3 m -67.53 -31.01 70.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 1.04 111.065 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.586 HD11 HD23 ' A' ' 38' ' ' LEU . 33.7 mt -63.57 -46.63 85.03 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.481 -0.563 . . . . 1.28 109.481 176.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 43.1 tt0 -58.52 -45.3 89.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 1.76 110.938 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.1 -42.54 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.48999999999999999 110.41 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.64 94.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.47999999999999998 110.82 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 46' ' ' LEU . 75.6 mt -55.68 -48.46 77.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 0.60999999999999999 110.552 176.122 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 31.3 mm-40 -62.12 -40.27 95.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.55 . . . . 1.8400000000000001 110.896 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.0 m -68.65 -46.64 68.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.9 -0.591 . . . . 0.68999999999999995 111.269 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 85.3 mt -69.38 -28.49 66.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.686 -0.234 . . . . 0.76000000000000001 111.175 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 1.7 tm-20 -58.17 -49.82 75.69 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.505 -0.554 . . . . 1.6499999999999999 109.505 173.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.7 m -68.79 -34.78 76.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.715 -0.675 . . . . 1.1599999999999999 110.766 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HA ' ' HB1' ' B' ' 42' ' ' ALA . . . -58.2 -67.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.6 -0.727 . . . . 1.1499999999999999 112.034 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.715 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 98.4 m-85 -83.51 -9.25 59.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.022 0.439 . . . . 2.0499999999999998 111.81 -173.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.36 45.02 20.3 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.884 -0.674 . . . . 2.6000000000000001 112.429 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.629 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 5.3 m -125.43 172.75 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-O 121.691 0.758 . . . . 1.3500000000000001 111.646 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.575 ' OG1' ' HB2' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -90.02 -170.18 2.69 Favored 'General case' 0 N--CA 1.432 -1.345 0 N-CA-C 107.019 -1.475 . . . . 2.3799999999999999 107.019 159.665 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.5 HG23 HG22 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -52.86 -59.78 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 118.76 0.709 . . . . 2.21 112.548 -177.771 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.968 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -149.92 7.29 0.63 Allowed 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 123.456 1.598 . . . . 4.0099999999999998 107.911 -179.543 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.575 ' HB2' ' OG1' ' A' ' 60' ' ' THR . 8.9 t70 -31.61 -86.87 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 110.203 -3.181 . . . . 3.6200000000000001 113.912 -134.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.7 t -123.57 -40.08 2.37 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.69 -0.804 . . . . 2.9100000000000001 110.274 171.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -54.7 -26.87 36.51 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.25 -0.886 . . . . 3.46 111.578 -169.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.931 HD12 ' HB2' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -125.32 14.56 8.31 Favored 'General case' 0 N--CA 1.425 -1.704 0 C-N-CA 119.968 -0.693 . . . . 1.8700000000000001 110.739 -173.179 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . . . -64.63 119.86 11.31 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.712 -0.676 . . . . 1.53 110.639 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 66' ' ' LEU . 95.8 mt -114.48 153.93 46.59 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.518 -0.765 . . . . 1.55 110.631 -173.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -42.45 -50.66 5.54 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 124.013 3.142 . . . . 2.7400000000000002 113.524 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -123.42 178.14 5.3 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.553 -0.536 . . . . 2.75 109.553 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 49.9 p -85.01 140.48 31.0 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.441 0.639 . . . . 1.55 110.212 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.701 HD13 HD12 ' A' ' 75' ' ' ILE . 4.2 mm? -70.53 -36.28 5.5 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.131 -0.941 . . . . 1.79 112.625 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 72' ' ' LEU . 1.8 Cg_endo -48.2 -43.11 32.25 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 121.828 1.686 . . . . 1.0700000000000001 112.057 172.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.56 -43.56 89.46 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.122 0.487 . . . . 2.2799999999999998 110.461 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.701 HD12 HD13 ' A' ' 72' ' ' LEU . 66.4 mt -59.5 -36.19 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.813 -0.63 . . . . 1.3799999999999999 110.186 176.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -75.46 -22.13 57.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.937 -0.574 . . . . 2.3599999999999999 110.959 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 44.1 mt-10 -71.71 -17.98 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.827 -0.434 . . . . 2.52 109.827 173.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.72 -44.89 9.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.871 -0.604 . . . . 0.65000000000000002 110.779 171.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.15 -54.14 4.81 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.083 0.772 . . . . 0.98999999999999999 113.083 -172.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.602 ' HA ' HD11 ' B' ' 72' ' ' LEU . . . -70.17 -13.25 62.11 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.1 0.476 . . . . 1.5600000000000001 111.683 -173.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.0 m -81.1 -16.22 53.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.819 -0.628 . . . . 2.3300000000000001 110.463 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.57 116.89 0.83 Allowed Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.762 -0.653 . . . . 2.5899999999999999 111.524 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.581 -0.724 . . . . 4.4100000000000001 110.11 -179.183 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.406 ' SD ' ' N ' ' B' ' 15' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.684 -0.487 . . . . 3.6800000000000002 109.684 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 6.5 m-20 -112.04 77.33 1.03 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.044 -0.724 . . . . 2.4199999999999999 109.044 175.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 29.5 p-10 -85.48 -18.55 33.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.172 -0.467 . . . . 2.52 110.786 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 31.0 mmtp -71.41 -39.68 70.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.426 -0.352 . . . . 1.8899999999999999 110.147 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.578 ' HE3' ' CG1' ' B' ' 59' ' ' VAL . 0.0 OUTLIER -68.98 -20.42 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 1.49 110.42 174.385 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.689 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 12.1 mtt180 -84.09 -15.27 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.255 0.55 . . . . 2.3399999999999999 110.413 175.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.542 ' O ' HG12 ' B' ' 25' ' ' ILE . 14.1 tp -73.73 -35.29 65.05 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.149 -0.686 . . . . 0.69999999999999996 109.149 170.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.7 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -62.15 -33.62 74.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.578 -0.527 . . . . 0.82999999999999996 109.578 172.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.973 ' CE1' ' HB2' ' B' ' 62' ' ' GLU . 62.8 t80 -50.37 -50.15 52.26 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.196 -0.911 . . . . 2.9900000000000002 109.388 172.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' B' ' 72' ' ' LEU . . . -56.7 -47.05 80.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.318 -0.855 . . . . 1.1399999999999999 111.371 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.542 HG12 ' O ' ' B' ' 21' ' ' LEU . 9.7 mm -67.72 -55.34 17.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.086 -0.961 . . . . 0.96999999999999997 110.264 -172.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.523 HG22 HG23 ' B' ' 61' ' ' VAL . 44.7 mt -65.1 -38.25 82.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.106 -0.497 . . . . 0.78000000000000003 110.561 -176.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -62.09 -49.19 76.93 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.834 0.35 . . . . 1.5800000000000001 111.167 176.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.463 ' HB2' ' HG3' ' B' ' 73' ' ' PRO . 13.2 t80 -64.31 -56.15 16.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.23 0.538 . . . . 1.98 110.324 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.673 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.5 mp -60.75 -32.89 72.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.159 -0.928 . . . . 0.69999999999999996 111.662 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -55.59 -58.34 8.19 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.184 0.516 . . . . 1.4099999999999999 111.039 178.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.6 -36.72 60.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.113 -0.494 . . . . 1.98 111.13 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -61.05 -34.13 74.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.043 0.449 . . . . 1.9299999999999999 110.146 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.673 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -64.42 -50.6 66.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.665 -0.698 . . . . 1.22 109.702 176.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.483 ' HA ' ' NE ' ' B' ' 34' ' ' ARG . 4.9 tpm_? -64.42 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.529 -0.76 . . . . 3.5 111.071 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -82.5 -11.88 58.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 2.6899999999999999 111.048 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.5 37.69 69.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.122 -0.561 . . . . 0.53000000000000003 112.073 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.85 -32.46 81.95 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.299 -0.477 . . . . 0.53000000000000003 112.678 -177.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.601 HD23 HD11 ' B' ' 46' ' ' LEU . 3.7 mm? -111.67 152.67 27.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.891 -0.411 . . . . 0.82999999999999996 109.891 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.8 t -71.73 171.09 12.2 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.295 -0.412 . . . . 1.4199999999999999 110.11 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 8.8 m -42.52 -57.36 2.69 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.815 1.042 . . . . 1.6299999999999999 113.815 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.94 -42.11 94.93 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.005 0.431 . . . . 2.21 111.218 -175.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' B' ' 38' ' ' LEU . . . -71.96 -35.28 69.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.136 -0.484 . . . . 0.54000000000000004 111.07 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.531 ' O ' HD21 ' B' ' 33' ' ' LEU . 9.2 tt0 -63.82 -52.6 59.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.638 -0.71 . . . . 1.5700000000000001 110.654 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.37 -27.94 69.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 2.3599999999999999 110.505 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -67.5 -31.02 70.86 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.894 -0.593 . . . . 1.04 111.054 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.601 HD11 HD23 ' B' ' 38' ' ' LEU . 33.5 mt -63.57 -46.57 85.27 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.53 -0.545 . . . . 1.28 109.53 176.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 43.3 tt0 -58.63 -45.05 90.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.292 -0.867 . . . . 1.75 110.989 -178.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -64.35 -42.56 95.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 0.48999999999999999 110.269 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.61 94.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.47999999999999998 110.829 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 46' ' ' LEU . 75.8 mt -55.5 -48.58 77.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.62 110.626 176.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 30.6 mm-40 -62.08 -40.29 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 1.8400000000000001 110.847 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 72.6 m -68.66 -46.66 68.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 0.68999999999999995 111.207 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.409 ' HA ' ' HB3' ' B' ' 56' ' ' ALA . 85.7 mt -69.45 -28.54 66.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.675 -0.239 . . . . 0.76000000000000001 111.163 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 1.7 tm-20 -58.01 -49.95 75.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.619 -0.511 . . . . 1.6599999999999999 109.619 173.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -68.64 -34.81 76.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.597 -0.729 . . . . 1.1499999999999999 110.7 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.437 ' HA ' ' HB1' ' A' ' 42' ' ' ALA . . . -58.17 -67.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.728 -0.669 . . . . 1.1399999999999999 112.138 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.7 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 98.4 m-85 -83.56 -9.6 58.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.344 -0.389 . . . . 2.0600000000000001 111.778 -173.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.68 44.91 19.12 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.978 -0.629 . . . . 2.6000000000000001 112.316 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.63 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 5.4 m -125.26 172.89 12.24 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-O 121.626 0.727 . . . . 1.3500000000000001 111.749 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' B' ' 63' ' ' ASP . 0.7 OUTLIER -90.49 -171.05 2.94 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 106.869 -1.53 . . . . 2.3799999999999999 106.869 159.708 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.523 HG23 HG22 ' B' ' 26' ' ' ILE . 0.5 OUTLIER -53.87 -59.12 2.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 118.809 0.731 . . . . 2.21 112.594 -176.642 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.973 ' HB2' ' CE1' ' B' ' 23' ' ' TYR . 0.0 OUTLIER -146.4 7.66 1.01 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 123.262 1.506 . . . . 4.0 108.935 178.749 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.553 ' HA ' ' OE2' ' B' ' 62' ' ' GLU . 14.6 t70 -41.14 -83.51 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 111.355 -2.657 . . . . 3.6200000000000001 115.027 -125.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 19.7 t -110.08 -48.38 3.2 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 119.76 1.164 . . . . 2.9199999999999999 113.019 165.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -52.49 -26.65 13.57 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 112.412 -2.176 . . . . 3.46 111.339 -163.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.942 HD12 ' HB2' ' B' ' 23' ' ' TYR . 0.4 OUTLIER -125.04 14.66 8.47 Favored 'General case' 0 N--CA 1.421 -1.887 0 C-N-CA 120.056 -0.658 . . . . 1.8700000000000001 110.644 -173.472 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.628 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . . . -64.49 119.94 11.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.917 -0.583 . . . . 1.54 110.544 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 66' ' ' LEU . 95.9 mt -114.77 154.09 46.86 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.568 -0.742 . . . . 1.5600000000000001 110.578 -173.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -43.16 -49.68 7.02 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.946 3.098 . . . . 2.75 113.679 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -123.96 177.96 5.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.451 -0.574 . . . . 2.7599999999999998 109.451 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.5 p -84.88 143.87 28.76 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.558 0.694 . . . . 1.55 109.862 177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.681 HD13 HD12 ' B' ' 75' ' ' ILE . 4.2 mm? -73.35 -36.15 3.02 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.016 -0.993 . . . . 1.79 112.284 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' B' ' 72' ' ' LEU . 1.7 Cg_endo -48.12 -43.04 31.96 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.806 1.671 . . . . 1.0600000000000001 112.021 172.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.66 -43.8 88.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.047 0.451 . . . . 2.27 110.399 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.681 HD12 HD13 ' B' ' 72' ' ' LEU . 65.6 mt -59.3 -36.09 61.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.954 -0.566 . . . . 1.3700000000000001 110.23 176.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -75.56 -22.08 57.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.993 -0.549 . . . . 2.3700000000000001 111.0 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.2 mt-10 -71.47 -19.36 62.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.698 -0.482 . . . . 2.5099999999999998 109.698 173.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.55 -46.01 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 0.64000000000000001 110.977 171.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.62 -54.2 4.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.174 0.805 . . . . 0.98999999999999999 113.174 -172.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.619 ' HA ' HD11 ' A' ' 72' ' ' LEU . . . -70.17 -13.3 62.13 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.105 0.478 . . . . 1.55 111.619 -173.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.1 m -81.24 -15.93 54.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.777 -0.647 . . . . 2.3300000000000001 110.446 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.63 117.23 0.85 Allowed Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.741 -0.663 . . . . 2.5899999999999999 111.48 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.485 -0.769 . . . . 4.4000000000000004 110.003 -179.246 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.932 0.396 . . . . 2.3999999999999999 110.298 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.468 ' OD1' ' HA ' ' B' ' 81' ' ' THR . 12.6 t30 -72.46 -6.02 40.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.442 0.639 . . . . 2.52 109.77 178.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -46.68 -47.54 20.29 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.85 -1.068 . . . . 1.8999999999999999 110.191 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HB3' HG11 ' A' ' 59' ' ' VAL . 30.3 mtmt -62.7 -34.72 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.884 -1.053 . . . . 1.49 110.935 -175.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.712 ' O ' ' HB3' ' A' ' 23' ' ' TYR . 32.8 mtm180 -85.56 -13.82 47.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.542 -0.754 . . . . 2.3399999999999999 111.058 -172.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.31 -49.18 75.0 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.752 -0.833 . . . . 0.69999999999999996 108.752 167.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -61.09 -36.57 80.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.823 -0.626 . . . . 0.82999999999999996 110.382 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.749 ' HB2' HD12 ' A' ' 66' ' ' LEU . 10.5 t80 -41.84 -58.77 1.91 Allowed 'General case' 0 N--CA 1.462 0.132 0 O-C-N 124.029 0.831 . . . . 2.9900000000000002 111.658 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . . . -76.27 -26.42 55.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.087 -0.506 . . . . 1.1399999999999999 111.799 -173.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 76.5 mt -66.28 -42.2 90.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.099 -0.704 . . . . 0.96999999999999997 109.099 175.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.81 -50.85 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.733 -0.667 . . . . 0.78000000000000003 110.304 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.02 -55.27 36.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.004 -0.544 . . . . 1.5800000000000001 111.995 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -71.03 -47.99 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.082 -0.508 . . . . 1.98 111.365 -172.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.591 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 11.0 mp -65.09 -26.34 68.18 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.036 -0.265 . . . . 0.69999999999999996 111.0 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -58.11 -54.14 50.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.308 0.575 . . . . 1.4099999999999999 110.585 174.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.09 -37.29 54.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.988 -0.551 . . . . 1.98 110.839 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.66 -34.04 68.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.33 0.586 . . . . 1.9199999999999999 109.823 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.593 HD23 ' HB2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -59.13 -53.98 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.93 -1.032 . . . . 1.22 109.895 176.487 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -78.89 -11.44 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.556 -0.747 . . . . 3.4900000000000002 111.696 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -89.29 -13.89 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 2.6800000000000002 110.612 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.71 40.25 76.56 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.846 -0.616 . . . . 0.53000000000000003 111.825 -178.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.9 -45.08 96.46 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 121.236 -0.507 . . . . 0.52000000000000002 113.085 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.555 HD23 HD11 ' A' ' 46' ' ' LEU . 3.1 mm? -105.61 -177.59 3.41 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.922 -0.163 . . . . 0.82999999999999996 110.582 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.5 t -71.6 -177.24 1.81 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.784 0.326 . . . . 1.4199999999999999 111.074 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -59.09 -62.39 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 1.6299999999999999 111.924 -174.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.9 -37.68 84.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 2.2000000000000002 110.7 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.02 87.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.737 -0.665 . . . . 0.54000000000000004 110.751 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.503 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.8 tt0 -59.5 -53.88 53.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 1.5600000000000001 110.122 177.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.87 -33.03 68.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.878 0.37 . . . . 2.3599999999999999 110.904 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.5 m -66.0 -33.92 76.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 1.04 111.433 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.593 ' HB2' HD23 ' A' ' 33' ' ' LEU . 27.6 mt -60.94 -49.73 76.29 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.116 0.484 . . . . 1.28 109.736 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.27 -42.75 91.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.103 -0.953 . . . . 1.76 111.3 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.34 -44.19 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.922 0.391 . . . . 0.48999999999999999 110.106 177.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.76 92.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 0.47999999999999998 110.913 178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 46' ' ' LEU . 67.2 mt -53.62 -55.12 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.60999999999999999 110.684 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.85 -36.8 85.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 1.8400000000000001 111.352 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.7 m -65.06 -50.18 67.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.68999999999999995 110.889 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.87 -34.9 74.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.594 0.235 . . . . 0.76000000000000001 111.177 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.39 -48.76 76.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.285 0.564 . . . . 1.6499999999999999 109.826 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 m -73.52 -32.87 64.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.443 -0.798 . . . . 1.1599999999999999 110.768 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.84 -54.97 35.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 1.1499999999999999 111.743 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.595 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 88.1 m-85 -90.28 0.92 57.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.874 0.369 . . . . 2.0499999999999998 111.535 -176.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.24 44.53 90.69 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.768 -0.651 . . . . 2.6000000000000001 112.745 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 19' ' ' LYS . 7.9 m -126.4 177.94 4.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.746 0.308 . . . . 1.3500000000000001 110.939 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 63' ' ' ASP . 2.7 p -118.3 -171.64 2.11 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.189 -0.671 . . . . 2.3799999999999999 109.189 171.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -34.79 -69.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 122.456 1.122 . . . . 2.21 113.408 -173.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.492 ' HB2' ' HE1' ' A' ' 23' ' ' TYR . 12.5 pt-20 -147.12 12.38 1.08 Allowed 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.632 -1.622 . . . . 4.0099999999999998 107.138 -174.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.56 ' HB2' ' OG1' ' A' ' 60' ' ' THR . 17.6 t70 -8.31 -86.39 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 111.092 -2.776 . . . . 3.6200000000000001 109.851 -132.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.6 t -138.54 -35.27 0.6 Allowed 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.832 -0.747 . . . . 2.9100000000000001 110.639 155.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.6 -15.39 63.63 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.352 0.501 . . . . 3.46 112.352 -168.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.749 HD12 ' HB2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -111.67 11.69 21.1 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.191 -0.604 . . . . 1.8700000000000001 110.557 -178.556 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . . . -60.75 129.3 40.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.696 -0.684 . . . . 1.53 110.702 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 67.2 mt -121.41 141.45 33.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 110.413 -0.217 . . . . 1.55 110.413 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -47.23 -53.34 6.51 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.045 2.497 . . . . 2.7400000000000002 113.566 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -113.89 159.22 20.1 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.934 -0.395 . . . . 2.75 109.934 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 53.3 p -74.74 139.65 43.55 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.314 0.578 . . . . 1.55 110.045 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.627 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.5 mt -72.1 -40.25 7.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.34 -0.846 . . . . 1.79 113.238 -173.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -46.95 -35.75 18.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.963 1.775 . . . . 1.0700000000000001 113.162 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.11 -44.32 80.24 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.175 0.512 . . . . 2.2799999999999998 109.815 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.97 -38.72 75.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.601 -0.727 . . . . 1.3799999999999999 109.926 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.627 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 14.8 m-30 -66.91 -35.82 80.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.476 -0.783 . . . . 2.3599999999999999 110.9 -175.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -75.68 -16.03 60.23 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.551 -0.459 . . . . 2.52 110.807 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.38 -54.83 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.65000000000000002 111.45 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.19 -52.63 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.186 0.517 . . . . 0.98999999999999999 111.815 -175.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -68.44 -9.86 51.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.397 -0.82 . . . . 1.5600000000000001 111.86 -172.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.481 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 7.2 t -72.35 -16.61 61.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.107 0.479 . . . . 2.3300000000000001 110.662 177.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.61 102.86 0.16 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.943 -0.646 . . . . 2.5899999999999999 111.799 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 tttp . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.588 -0.72 . . . . 4.4100000000000001 109.929 -178.437 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 45.4 ttp . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.827 0.346 . . . . 3.6800000000000002 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.62 93.19 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.305 -0.407 . . . . 2.4199999999999999 110.345 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.481 ' OD1' ' HA ' ' A' ' 81' ' ' THR . 12.5 t30 -72.46 -6.0 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.434 0.635 . . . . 2.52 109.665 178.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -46.73 -47.42 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.927 -1.033 . . . . 1.8899999999999999 110.118 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.515 ' HB3' HG11 ' B' ' 59' ' ' VAL . 30.3 mtmt -62.83 -34.99 78.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.104 -0.953 . . . . 1.49 110.947 -175.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.713 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 31.9 mtm180 -84.26 -15.67 45.92 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.43 -0.805 . . . . 2.3399999999999999 111.158 -173.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.03 -49.3 76.55 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.909 -0.775 . . . . 0.69999999999999996 108.909 167.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.592 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -61.2 -36.66 80.49 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.815 -0.629 . . . . 0.82999999999999996 110.283 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.755 ' HB2' HD12 ' B' ' 66' ' ' LEU . 10.5 t80 -41.76 -58.74 1.89 Allowed 'General case' 0 C--N 1.333 -0.141 0 O-C-N 124.06 0.85 . . . . 2.9900000000000002 111.647 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.45 ' HB2' ' HG ' ' B' ' 72' ' ' LEU . . . -76.4 -26.32 55.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.131 -0.486 . . . . 1.1399999999999999 111.746 -173.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 76.7 mt -66.31 -42.18 90.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.074 -0.713 . . . . 0.96999999999999997 109.074 175.157 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.419 HG21 ' HA ' ' B' ' 61' ' ' VAL . 85.0 mt -64.8 -50.81 73.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.73 -0.668 . . . . 0.78000000000000003 110.347 174.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.09 -55.19 37.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.015 -0.539 . . . . 1.5800000000000001 111.959 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -71.14 -48.0 54.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.179 -0.464 . . . . 1.98 111.395 -172.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 11.0 mp -64.96 -26.3 68.24 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.116 -0.233 . . . . 0.69999999999999996 110.977 -178.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -58.24 -54.2 49.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.315 0.579 . . . . 1.4099999999999999 110.48 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -37.27 55.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.844 -0.616 . . . . 1.98 110.916 -178.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -57.65 -34.09 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.29 0.567 . . . . 1.9299999999999999 109.771 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.585 HD23 ' HB2' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -59.05 -53.87 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.966 -1.016 . . . . 1.22 110.017 176.404 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -79.08 -11.32 59.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.538 -0.756 . . . . 3.5 111.591 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -89.43 -13.61 37.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.0 0.429 . . . . 2.6899999999999999 110.702 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.57 40.2 78.09 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.815 -0.63 . . . . 0.53000000000000003 111.909 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.71 -45.28 95.97 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.281 -0.485 . . . . 0.53000000000000003 112.997 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.543 HD23 HD11 ' B' ' 46' ' ' LEU . 3.1 mm? -105.5 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.483 -0.191 . . . . 0.82999999999999996 110.483 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.0 t -71.97 -176.85 1.83 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.656 0.265 . . . . 1.4199999999999999 111.084 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 44.4 t -59.36 -62.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 1.6299999999999999 111.808 -174.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.84 -37.54 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.081 0.467 . . . . 2.21 110.687 -177.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.9 88.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.758 -0.656 . . . . 0.54000000000000004 110.718 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.513 ' O ' HD21 ' B' ' 33' ' ' LEU . 8.8 tt0 -59.58 -53.74 54.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.638 -0.71 . . . . 1.5700000000000001 110.109 177.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.93 -33.1 68.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.824 0.345 . . . . 2.3599999999999999 110.912 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 36.3 m -65.88 -34.08 77.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.879 -0.601 . . . . 1.04 111.398 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.585 ' HB2' HD23 ' B' ' 33' ' ' LEU . 27.9 mt -60.99 -49.62 76.68 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.133 0.492 . . . . 1.28 109.768 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.33 -42.67 92.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.164 -0.925 . . . . 1.75 111.305 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.2 t -64.42 -44.1 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.985 -0.376 . . . . 0.48999999999999999 109.985 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.8 92.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.039 -0.528 . . . . 0.47999999999999998 110.861 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 46' ' ' LEU . 67.0 mt -53.48 -55.22 14.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.936 -0.574 . . . . 0.62 110.674 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.82 -36.77 84.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.8400000000000001 111.359 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.98 -50.3 66.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.105 -0.498 . . . . 0.68999999999999995 110.963 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.84 -34.87 74.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.621 0.248 . . . . 0.76000000000000001 111.215 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.42 -48.8 76.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.275 0.559 . . . . 1.6599999999999999 109.798 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 16.1 m -73.45 -32.86 64.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.449 -0.796 . . . . 1.1499999999999999 110.822 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.98 -54.64 40.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.872 -0.603 . . . . 1.1399999999999999 111.784 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.592 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 87.9 m-85 -90.52 1.19 56.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.015 0.435 . . . . 2.0600000000000001 111.504 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.76 44.91 91.39 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.788 -0.642 . . . . 2.6000000000000001 112.764 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.515 HG11 ' HB3' ' B' ' 19' ' ' LYS . 7.6 m -126.6 178.13 4.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.863 0.363 . . . . 1.3500000000000001 110.87 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' THR . . . . . 0.61 ' OG1' ' HB2' ' B' ' 63' ' ' ASP . 2.8 p -118.81 -171.43 2.09 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.71 -0.677 . . . . 2.3799999999999999 109.225 171.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.419 ' HA ' HG21 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -39.92 -63.65 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 114.018 1.118 . . . . 2.21 114.018 -169.802 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.491 ' HB2' ' HE1' ' B' ' 23' ' ' TYR . 12.7 pt-20 -147.52 18.09 1.17 Allowed 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.163 -1.38 . . . . 4.0 108.918 -176.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.61 ' HB2' ' OG1' ' B' ' 60' ' ' THR . 13.4 t70 -29.28 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 118.679 -1.209 . . . . 3.6200000000000001 110.434 -117.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . 0.266 38.2 t -117.34 -45.53 2.72 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 122.884 2.583 . . . . 2.9199999999999999 114.181 147.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.09 -14.67 61.06 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 112.566 -2.107 . . . . 3.46 111.977 -159.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.755 HD12 ' HB2' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -111.6 11.55 21.21 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 120.063 -0.655 . . . . 1.8700000000000001 110.362 -178.867 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . . . -60.76 129.09 39.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.71 -0.677 . . . . 1.54 110.583 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 67.6 mt -121.29 141.77 33.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 119.589 -0.243 . . . . 1.5600000000000001 110.407 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -48.58 -51.05 11.0 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.972 2.448 . . . . 2.75 113.821 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -115.29 159.2 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.785 -0.45 . . . . 2.7599999999999998 109.785 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.4 p -74.8 143.42 43.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.226 -0.589 . . . . 1.55 109.488 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.613 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 67.1 mt -75.24 -39.98 3.38 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.4 -0.818 . . . . 1.79 112.989 -173.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.92 -35.93 19.19 Favored 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 122.038 1.825 . . . . 1.0600000000000001 113.1 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.92 -44.63 80.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.113 0.483 . . . . 2.27 109.82 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.62 -38.88 73.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 115.665 -0.698 . . . . 1.3700000000000001 109.962 173.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 14.8 m-30 -66.81 -35.78 80.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.445 -0.798 . . . . 2.3700000000000001 110.905 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -75.58 -16.92 60.19 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.967 -0.458 . . . . 2.5099999999999998 110.677 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.98 -55.46 3.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.64000000000000001 111.56 177.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.9 -52.74 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.234 0.54 . . . . 0.98999999999999999 111.882 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -67.56 -11.69 58.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.356 -0.838 . . . . 1.55 111.813 -172.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.468 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 6.9 t -71.02 -16.66 62.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.071 0.462 . . . . 2.3300000000000001 110.793 177.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.5 102.95 0.16 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.016 -0.612 . . . . 2.5899999999999999 111.838 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.342 -0.837 . . . . 4.4000000000000004 110.064 -178.379 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 6.3 m-20 . . . . . 0 CA--C 1.517 -0.31 0 CA-C-O 120.73 0.3 . . . . 2.3999999999999999 110.374 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.476 ' OD1' ' HD2' ' A' ' 18' ' ' LYS . 30.9 p-10 -74.25 -6.25 46.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.689 0.281 . . . . 2.52 110.486 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HD2' ' OD1' ' A' ' 17' ' ' ASN . 11.8 mptt -75.32 -51.75 12.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 1.8999999999999999 110.742 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HB2' ' CG1' ' A' ' 59' ' ' VAL . 21.0 ptmt -63.76 -39.84 95.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.244 0.545 . . . . 1.49 110.599 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.521 HH11 ' HG ' ' A' ' 68' ' ' LEU . 79.2 mtt180 -62.68 -41.58 99.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.546 -0.752 . . . . 2.3399999999999999 109.627 177.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.728 HD13 ' CE2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -62.08 -37.72 86.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.723 -0.671 . . . . 0.69999999999999996 110.114 179.554 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -56.35 -31.03 63.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.312 -0.404 . . . . 0.82999999999999996 110.815 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CD2' ' HB3' ' A' ' 63' ' ' ASP . 15.7 t80 -62.94 -39.19 93.87 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.013 -0.54 . . . . 2.9900000000000002 110.409 176.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 69' ' ' PRO . . . -55.0 -43.2 73.39 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.178 0.513 . . . . 1.1399999999999999 111.107 173.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.495 HD11 HD11 ' A' ' 21' ' ' LEU . 13.6 mm -63.83 -51.41 69.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.903 -1.044 . . . . 0.96999999999999997 109.389 -176.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.492 HG12 HG23 ' A' ' 50' ' ' ILE . 81.1 mt -60.55 -51.31 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.159 -0.928 . . . . 0.78000000000000003 110.909 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.696 ' HB3' HG23 ' A' ' 71' ' ' THR . 15.1 mm-40 -50.54 -59.46 4.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 1.5800000000000001 112.249 -176.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.652 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 68.5 t80 -78.38 -61.78 1.9 Allowed 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.699 -0.401 . . . . 1.98 111.694 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.544 ' HA ' HE21 ' A' ' 32' ' ' GLN . 7.2 mp -56.91 -24.29 51.19 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.66 0.615 . . . . 0.69999999999999996 112.66 -172.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -87.78 -38.19 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.126 -0.629 . . . . 1.4099999999999999 110.856 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.32 -47.91 69.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 1.98 109.938 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.544 HE21 ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.47 -30.87 69.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.986 -1.006 . . . . 1.9199999999999999 110.642 175.325 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -60.63 -41.71 95.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 1.22 110.233 -178.878 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -75.06 -22.87 58.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.107 -0.497 . . . . 3.4900000000000002 110.86 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -85.34 -33.23 22.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.393 . . . . 2.6800000000000002 111.589 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.576 ' HA2' ' OE1' ' A' ' 43' ' ' GLN . . . 102.37 43.44 2.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.694 -0.765 . . . . 0.53000000000000003 112.773 177.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.51 -60.48 5.03 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.52000000000000002 112.678 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.11 176.08 9.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.722 -0.281 . . . . 0.82999999999999996 110.921 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 t -66.62 167.71 10.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 1.4199999999999999 111.087 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 6.4 p -54.63 -53.87 49.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.931 0.345 . . . . 1.6299999999999999 111.931 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.19 -37.85 88.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.044 0.449 . . . . 2.2000000000000002 110.76 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -62.68 -40.41 97.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.785 -0.643 . . . . 0.54000000000000004 110.546 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.576 ' OE1' ' HA2' ' A' ' 36' ' ' GLY . 20.6 mt-30 -52.26 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.697 -0.683 . . . . 1.5600000000000001 111.187 176.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 48' ' ' VAL . 37.4 mm-40 -48.78 -38.53 22.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.307 -0.86 . . . . 2.3599999999999999 111.633 177.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.2 m -67.56 -39.68 84.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.358 -0.383 . . . . 1.04 111.691 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 42.4 mt -66.68 -35.99 81.46 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.019 -0.363 . . . . 1.28 110.019 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 7.4 tp10 -54.87 -55.51 29.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 1.76 109.975 176.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 44' ' ' GLU . 16.0 t -52.57 -50.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.283 -0.871 . . . . 0.48999999999999999 110.41 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -60.74 -50.34 73.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.171 -0.922 . . . . 0.47999999999999998 111.632 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.499 HD11 ' CB ' ' A' ' 29' ' ' LEU . 61.5 mt -61.82 -42.01 92.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.551 . . . . 0.60999999999999999 111.65 -176.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 74.3 mm-40 -63.32 -39.63 95.08 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.071 0.463 . . . . 1.8400000000000001 110.435 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 79.6 m -68.91 -42.54 76.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 0.68999999999999995 110.573 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 95.3 mt -62.86 -46.45 87.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.616 0.246 . . . . 0.76000000000000001 111.18 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -55.8 -45.34 78.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 1.6499999999999999 110.289 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.7 m -74.88 -35.27 62.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.723 -0.671 . . . . 1.1599999999999999 111.157 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.01 -55.84 22.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.114 0.483 . . . . 1.1499999999999999 111.241 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 19' ' ' LYS . 92.9 m-85 -77.28 -27.37 53.09 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.832 -0.622 . . . . 2.0499999999999998 110.977 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.07 42.15 45.11 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.866 -0.606 . . . . 2.6000000000000001 111.634 -176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 19' ' ' LYS . 27.4 m -113.33 153.22 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.923 0.392 . . . . 1.3500000000000001 111.693 -174.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.9 p -142.35 -168.18 2.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.751 -0.659 . . . . 2.3799999999999999 110.576 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.448 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 12.4 p -60.72 -11.11 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-O 121.856 0.836 . . . . 2.21 112.117 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 65' ' ' ASP . 20.6 mm-40 -56.87 -23.33 43.69 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.918 -0.489 . . . . 4.0099999999999998 110.707 176.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.592 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 14.0 t70 -69.22 -26.66 64.92 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.33 -0.395 . . . . 3.6200000000000001 110.617 178.041 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -65.33 -32.67 74.44 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.956 -0.387 . . . . 2.9100000000000001 109.956 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 65.0 m-20 -61.94 -32.62 73.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 3.46 110.736 175.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.57 ' O ' HD23 ' A' ' 68' ' ' LEU . 3.7 pp -110.03 30.12 7.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.407 -0.36 . . . . 1.8700000000000001 111.059 176.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -30.19 109.78 0.06 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 123.052 1.406 . . . . 1.53 114.352 -165.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.97 HD13 ' HD2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -127.15 -143.8 0.0 OUTLIER Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 111.719 -2.491 . . . . 1.55 107.59 -169.811 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.97 ' HD2' HD13 ' A' ' 68' ' ' LEU . 11.6 Cg_exo -32.92 24.05 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.883 1 C-N-CA 126.36 4.706 . . . . 2.7400000000000002 116.208 147.067 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.826 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 1.9 pt20 -57.4 -168.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 124.886 1.275 . . . . 2.75 108.292 159.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.696 HG23 ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -44.66 114.43 0.7 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 119.233 0.924 . . . . 1.55 111.851 -171.325 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 70' ' ' GLN . 0.9 OUTLIER -90.72 -30.02 0.34 Allowed Pre-proline 0 C--O 1.181 -2.536 0 CA-C-O 116.592 -1.67 . . . . 1.79 114.939 -177.561 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.652 ' HG2' ' CG ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -30.68 -36.98 0.05 OUTLIER 'Trans proline' 0 CA--C 1.552 1.383 0 C-N-CA 122.923 2.415 . . . . 1.0700000000000001 116.336 -172.703 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' LEU . 1.3 tm-20 -80.23 -55.85 4.63 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 118.267 0.485 . . . . 2.2799999999999998 109.968 171.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.577 ' HB ' ' HG ' ' A' ' 72' ' ' LEU . 56.5 mt -44.73 -51.46 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-O 121.625 0.726 . . . . 1.3799999999999999 110.866 170.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.718 ' CE2' HD13 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -62.88 -44.81 95.12 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 114.727 -1.124 . . . . 2.3599999999999999 110.526 -177.887 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 73' ' ' PRO . 11.0 tp10 -53.88 -27.28 29.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.788 0.804 . . . . 2.52 109.606 178.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.61 2.22 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.778 -1.101 . . . . 0.65000000000000002 111.481 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.07 67.46 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.056 0.455 . . . . 0.98999999999999999 111.394 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HA ' ' HD3' ' B' ' 69' ' ' PRO . . . -69.19 -40.6 77.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.387 -0.824 . . . . 1.5600000000000001 111.773 -175.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 p -82.37 -31.93 29.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.197 -0.456 . . . . 2.3300000000000001 111.497 -176.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.26 54.86 4.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 2.5899999999999999 112.49 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.676 -0.678 . . . . 4.4100000000000001 109.702 179.137 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 57.2 ttp . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 121.018 0.437 . . . . 3.6800000000000002 110.389 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 6.7 m-20 -82.78 103.51 12.33 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.915 -0.584 . . . . 2.4199999999999999 110.251 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.494 ' OD1' ' HD2' ' B' ' 18' ' ' LYS . 31.2 p-10 -74.46 -6.05 46.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.755 0.312 . . . . 2.52 110.532 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.494 ' HD2' ' OD1' ' B' ' 17' ' ' ASN . 11.8 mptt -75.21 -51.86 12.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.8899999999999999 110.735 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' B' ' 59' ' ' VAL . 21.0 ptmt -63.63 -40.03 95.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.281 0.563 . . . . 1.49 110.591 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.54 HH11 ' HG ' ' B' ' 68' ' ' LEU . 79.0 mtt180 -62.58 -41.65 99.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.507 -0.769 . . . . 2.3399999999999999 109.638 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.718 HD13 ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -62.07 -37.61 85.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.734 -0.666 . . . . 0.69999999999999996 110.151 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.416 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -56.4 -30.98 63.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.257 -0.428 . . . . 0.82999999999999996 110.866 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' B' ' 63' ' ' ASP . 15.9 t80 -63.04 -39.21 94.06 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.941 -0.572 . . . . 2.9900000000000002 110.361 176.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' B' ' 69' ' ' PRO . . . -54.93 -43.08 73.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.284 0.564 . . . . 1.1399999999999999 111.238 173.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.487 HD11 HD11 ' B' ' 21' ' ' LEU . 13.4 mm -63.92 -51.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.807 -1.088 . . . . 0.96999999999999997 109.45 -176.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.476 HG12 HG23 ' B' ' 50' ' ' ILE . 81.2 mt -60.55 -51.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.111 -0.95 . . . . 0.78000000000000003 110.856 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.689 ' HB3' HG23 ' B' ' 71' ' ' THR . 15.3 mm-40 -50.28 -59.75 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 1.5800000000000001 112.297 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.661 ' CG ' ' HG2' ' B' ' 73' ' ' PRO . 68.3 t80 -78.21 -61.91 1.85 Allowed 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.791 -0.364 . . . . 1.98 111.704 -176.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.543 ' HA ' HE21 ' B' ' 32' ' ' GLN . 7.2 mp -56.83 -24.46 51.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.75 0.648 . . . . 0.69999999999999996 112.75 -172.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -87.32 -38.39 16.29 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.179 -0.609 . . . . 1.4099999999999999 110.872 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -67.25 -48.03 68.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.584 0.707 . . . . 1.98 110.024 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.543 HE21 ' HA ' ' B' ' 29' ' ' LEU . 0.0 OUTLIER -60.43 -30.73 69.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.072 -0.967 . . . . 1.9299999999999999 110.706 175.32 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -60.7 -41.69 95.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 1.22 110.306 -178.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -75.09 -23.02 57.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 3.5 110.823 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -85.17 -33.13 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.477 -0.329 . . . . 2.6899999999999999 111.547 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLY . . . . . 0.595 ' HA2' ' OE1' ' B' ' 43' ' ' GLN . . . 102.54 42.67 2.12 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.618 -0.801 . . . . 0.53000000000000003 112.886 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.1 -60.75 4.99 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 120.774 -0.727 . . . . 0.53000000000000003 112.65 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.87 176.06 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.584 0.231 . . . . 0.82999999999999996 110.903 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 32.2 t -66.73 167.99 10.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.335 -0.393 . . . . 1.4199999999999999 111.247 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 7.7 p -54.82 -53.7 51.81 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.941 0.348 . . . . 1.6299999999999999 111.941 -175.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -65.33 -37.86 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.091 0.472 . . . . 2.21 110.765 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.55 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -62.6 -40.45 96.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 0.54000000000000004 110.518 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.595 ' OE1' ' HA2' ' B' ' 36' ' ' GLY . 20.7 mt-30 -52.09 -65.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.785 -0.643 . . . . 1.5700000000000001 111.25 176.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.503 ' O ' HG23 ' B' ' 48' ' ' VAL . 34.8 mm-40 -48.75 -38.5 21.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.167 -0.924 . . . . 2.3599999999999999 111.622 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -67.43 -39.88 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 1.04 111.645 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 41.7 mt -66.47 -36.18 82.12 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.058 -0.349 . . . . 1.28 110.058 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 7.5 tp10 -54.8 -55.48 29.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.75 109.998 176.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 44' ' ' GLU . 15.9 t -52.64 -50.45 41.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.321 -0.854 . . . . 0.48999999999999999 110.332 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -60.58 -50.23 74.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.203 -0.908 . . . . 0.47999999999999998 111.745 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.498 HD11 ' CB ' ' B' ' 29' ' ' LEU . 61.4 mt -61.88 -42.04 93.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.976 -0.556 . . . . 0.62 111.603 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 74.5 mm-40 -63.28 -39.83 95.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.103 0.478 . . . . 1.8400000000000001 110.38 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -68.65 -42.54 77.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 0.68999999999999995 110.667 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 95.4 mt -62.89 -46.47 87.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.645 0.259 . . . . 0.76000000000000001 111.151 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.94 -45.04 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 1.6599999999999999 110.376 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.6 m -75.11 -35.19 61.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.692 -0.685 . . . . 1.1499999999999999 111.189 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.9 21.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 1.1399999999999999 111.316 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' B' ' 19' ' ' LYS . 91.9 m-85 -77.64 -26.61 50.61 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.972 -0.558 . . . . 2.0600000000000001 111.059 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.79 42.17 47.09 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.757 -0.656 . . . . 2.6000000000000001 111.683 -176.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' B' ' 19' ' ' LYS . 28.4 m -113.3 152.76 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.891 0.377 . . . . 1.3500000000000001 111.727 -174.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 38.8 p -141.9 -169.98 3.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 2.3799999999999999 110.625 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.453 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 12.8 p -59.12 -11.3 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-O 121.82 0.819 . . . . 2.21 112.263 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 65' ' ' ASP . 21.3 mm-40 -56.92 -23.13 42.82 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.908 -0.495 . . . . 4.0 110.708 176.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.579 ' HB3' ' CD2' ' B' ' 23' ' ' TYR . 14.1 t70 -69.51 -26.66 64.64 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.299 -0.41 . . . . 3.6200000000000001 110.461 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m -65.51 -32.31 73.84 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.893 0.378 . . . . 2.9199999999999999 110.007 173.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 65.5 m-20 -62.04 -32.56 73.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.168 -0.469 . . . . 3.46 110.722 175.158 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.579 ' O ' HD23 ' B' ' 68' ' ' LEU . 3.7 pp -109.23 27.97 8.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.354 -0.385 . . . . 1.8700000000000001 111.489 176.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -29.44 109.07 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 123.935 1.826 . . . . 1.54 115.019 -165.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.972 HD13 ' HD2' ' B' ' 69' ' ' PRO . 0.2 OUTLIER -128.31 -156.32 0.03 OUTLIER Pre-proline 0 C--N 1.299 -1.599 0 C-N-CA 130.482 3.513 . . . . 1.5600000000000001 106.462 -166.12 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 69' ' ' PRO . . . . . 0.972 ' HD2' HD13 ' B' ' 68' ' ' LEU . 13.0 Cg_exo -26.0 20.18 0.0 OUTLIER 'Trans proline' 0 CA--C 1.563 1.944 0 C-N-CA 124.928 3.752 . . . . 2.75 116.531 149.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' GLN . . . . . 0.872 ' HG2' ' O ' ' B' ' 68' ' ' LEU 0.26 1.9 pt20 -61.64 -168.18 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 106.106 -1.813 . . . . 2.7599999999999998 106.106 163.263 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 71' ' ' THR . . . . . 0.689 HG23 ' HB3' ' B' ' 27' ' ' GLN 0.287 0.3 OUTLIER -56.93 127.69 33.09 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 122.25 2.296 . . . . 1.55 108.727 -157.802 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.645 HD12 ' O ' ' B' ' 70' ' ' GLN . 1.1 mp -91.64 -34.31 0.35 Allowed Pre-proline 0 C--O 1.181 -2.545 0 CA-C-N 112.834 -1.985 . . . . 1.79 115.398 -176.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.661 ' HG2' ' CG ' ' B' ' 28' ' ' PHE . 0.1 OUTLIER -30.54 -36.12 0.04 OUTLIER 'Trans proline' 0 CA--C 1.55 1.323 0 C-N-CA 123.105 2.537 . . . . 1.0600000000000001 116.12 -170.368 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 72' ' ' LEU . 1.3 tm-20 -80.76 -55.87 4.53 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 118.211 0.459 . . . . 2.27 109.944 171.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.583 ' HB ' ' HG ' ' B' ' 72' ' ' LEU . 55.5 mt -44.51 -51.76 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-O 121.536 0.684 . . . . 1.3700000000000001 110.874 169.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.728 ' CE2' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -62.94 -44.62 95.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 114.867 -1.061 . . . . 2.3700000000000001 110.488 -177.609 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' B' ' 73' ' ' PRO . 10.7 tp10 -53.96 -27.33 30.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.738 0.78 . . . . 2.5099999999999998 109.614 178.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.75 -59.51 2.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.759 -1.11 . . . . 0.64000000000000001 111.502 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.31 -35.07 67.13 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.107 0.479 . . . . 0.98999999999999999 111.433 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.49 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . . . -69.51 -40.21 77.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.417 -0.811 . . . . 1.55 111.767 -174.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.8 p -82.73 -31.56 28.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 2.3300000000000001 111.54 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.61 55.28 4.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 2.5899999999999999 112.435 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.41 -0.805 . . . . 4.4000000000000004 109.92 179.103 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.924 0.392 . . . . 2.3999999999999999 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 26.4 p-10 -73.82 -18.75 60.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.089 0.471 . . . . 2.52 110.349 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -71.21 -23.42 62.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.74 -0.663 . . . . 1.8999999999999999 112.409 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.595 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 15.5 ptmt -87.06 -20.71 26.77 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.901 -0.32 . . . . 1.49 110.576 174.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.39 -40.03 52.03 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.495 -0.928 . . . . 2.3399999999999999 108.495 172.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 5.9 tp -60.9 -42.59 98.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.618 -1.173 . . . . 0.69999999999999996 109.418 168.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.759 ' HB1' ' O ' ' A' ' 58' ' ' GLY . . . -59.33 -46.33 88.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.98 -1.009 . . . . 0.82999999999999996 110.932 175.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 64' ' ' SER . 86.9 t80 -51.88 -41.39 61.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.275 -0.875 . . . . 2.9900000000000002 110.293 178.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.713 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . . . -55.38 -45.54 76.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.398 -0.819 . . . . 1.1399999999999999 111.683 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 46.3 mt -75.49 -44.91 40.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 114.856 -1.065 . . . . 0.96999999999999997 111.048 -170.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.791 HD12 HG23 ' A' ' 59' ' ' VAL . 7.0 mt -64.69 -46.77 91.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 C-N-CA 120.186 -0.605 . . . . 0.78000000000000003 110.258 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -60.95 -64.94 0.78 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.908 0.706 . . . . 1.5800000000000001 112.908 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.605 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 34.5 t80 -58.21 -51.78 68.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.132 0.492 . . . . 1.98 111.172 -174.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 25' ' ' ILE . 11.1 mp -61.0 -29.75 69.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.57 -0.741 . . . . 0.69999999999999996 111.743 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 25.6 t-80 -72.66 -42.44 64.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.652 0.263 . . . . 1.4099999999999999 110.539 177.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.18 -44.35 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.895 0.379 . . . . 1.98 110.296 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 -37.07 76.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.993 -0.548 . . . . 1.9199999999999999 109.994 175.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -60.5 -38.7 85.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.512 -0.767 . . . . 1.22 110.753 -178.424 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -83.25 -12.57 56.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.225 -0.443 . . . . 3.4900000000000002 110.905 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -97.86 -28.98 13.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.818 0.342 . . . . 2.6800000000000002 111.557 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.444 ' HA2' ' OE1' ' A' ' 43' ' ' GLN . . . 86.67 43.19 6.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.823 -0.703 . . . . 0.53000000000000003 111.931 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.74 -46.03 71.06 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.156 -0.545 . . . . 0.52000000000000002 113.47 -175.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.497 ' HG ' ' HB1' ' B' ' 56' ' ' ALA . 4.4 mm? -89.25 -100.23 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.92 0.341 . . . . 0.82999999999999996 111.92 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 t -142.3 164.23 30.69 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.254 -0.276 . . . . 1.4199999999999999 110.254 -176.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 47.3 m -60.58 -57.14 14.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.179 0.437 . . . . 1.6299999999999999 112.179 -173.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.08 -34.23 77.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 2.2000000000000002 110.41 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HB1' ' HA ' ' B' ' 56' ' ' ALA . . . -58.89 -40.1 83.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.616 -0.72 . . . . 0.54000000000000004 110.769 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 40' ' ' SER . 18.9 mt-30 -53.88 -68.02 0.21 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.572 -0.74 . . . . 1.5600000000000001 111.36 178.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.97 -34.51 59.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.855 -0.612 . . . . 2.3599999999999999 111.882 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.47 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 70.9 m -66.72 -33.84 76.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.458 0.17 . . . . 1.04 111.458 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.505 ' HB2' HD21 ' A' ' 33' ' ' LEU . 20.2 mt -69.07 -29.03 67.06 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.627 -0.429 . . . . 1.28 110.776 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.19 -39.51 92.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.203 -0.665 . . . . 1.76 109.203 175.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.1 t -65.61 -47.88 84.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.57 -0.741 . . . . 0.48999999999999999 109.749 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' B' ' 49' ' ' ALA . . . -57.33 -46.6 83.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.267 -0.879 . . . . 0.47999999999999998 111.419 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.35 -45.44 81.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.836 -0.62 . . . . 0.60999999999999999 111.676 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -76.69 -37.44 56.13 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.789 -0.364 . . . . 1.8400000000000001 111.808 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' B' ' 45' ' ' SER . 76.0 m -64.53 -38.65 91.75 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.457 0.646 . . . . 0.68999999999999995 109.503 174.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.45 -51.58 68.87 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.407 -0.815 . . . . 0.76000000000000001 109.463 170.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.919 ' HA ' ' O ' ' A' ' 57' ' ' PHE . 5.7 tt0 -57.11 -22.91 43.28 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.857 0.723 . . . . 1.6499999999999999 110.844 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 m -64.37 -45.57 87.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.159 -0.473 . . . . 1.1599999999999999 110.338 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.58 ' HA ' ' HB1' ' B' ' 42' ' ' ALA . . . -68.98 -73.07 0.16 Allowed 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.334 -0.987 . . . . 1.1499999999999999 108.334 170.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.919 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 3.5 p90 -138.6 -49.68 0.54 Allowed 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 108.369 -0.974 . . . . 2.0499999999999998 108.369 157.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.759 ' O ' ' HB1' ' A' ' 22' ' ' ALA . . . 54.26 -33.83 0.01 OUTLIER Glycine 0 C--O 1.217 -0.913 0 CA-C-N 114.039 -1.437 . . . . 2.6000000000000001 113.284 -164.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.791 HG23 HD12 ' A' ' 26' ' ' ILE . 2.7 t -176.85 -162.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 129.82 3.248 . . . . 1.3500000000000001 103.158 158.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.74 ' H ' HG12 ' A' ' 59' ' ' VAL . 43.9 p -135.39 159.42 41.63 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.193 -1.41 . . . . 2.3799999999999999 107.193 146.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.84 -24.76 35.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.32 0.581 . . . . 2.21 110.949 -172.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.3 -26.26 66.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.698 -0.683 . . . . 4.0099999999999998 111.494 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.69 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 8.9 t70 -78.54 -33.86 47.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 3.6200000000000001 109.72 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.543 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 26.6 t -63.59 -24.52 67.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.539 -0.755 . . . . 2.9100000000000001 109.511 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.45 -35.07 58.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.247 -0.888 . . . . 3.46 111.14 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 4.0 pp -76.14 -48.14 21.71 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.365 -0.534 . . . . 1.8700000000000001 110.263 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.52 ' N ' HD12 ' A' ' 66' ' ' LEU . . . 49.49 115.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.516 0.932 . . . . 1.53 113.516 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.5 156.27 89.06 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.707 -0.679 . . . . 1.55 110.27 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -43.63 -50.18 7.25 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.181 2.587 . . . . 2.7400000000000002 112.87 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -118.26 166.73 12.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 2.75 109.712 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.2 p -77.64 141.12 39.63 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.563 0.696 . . . . 1.55 110.168 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.713 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 3.2 mm? -64.04 -40.41 53.73 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 114.956 -1.02 . . . . 1.79 112.752 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.605 ' CG ' ' HB2' ' A' ' 28' ' ' PHE . 84.5 Cg_exo -45.86 -35.21 13.45 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.186 1.924 . . . . 1.0700000000000001 113.071 171.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.44 -39.59 74.28 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.199 0.523 . . . . 2.2799999999999998 110.146 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.465 HD12 HD13 ' A' ' 72' ' ' LEU . 55.0 mt -66.63 -35.34 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.289 0.566 . . . . 1.3799999999999999 109.763 175.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 14.3 m-30 -73.96 -16.84 61.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.762 -0.653 . . . . 2.3599999999999999 110.37 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 12.7 tp10 -78.64 -41.27 31.91 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.59 -0.732 . . . . 2.52 109.919 175.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.08 -49.95 7.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.941 -0.572 . . . . 0.65000000000000002 112.204 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.56 -49.78 6.12 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.293 0.479 . . . . 0.98999999999999999 112.293 -173.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -67.52 -5.98 17.66 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.846 0.684 . . . . 1.5600000000000001 112.846 -172.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -20.47 64.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.82 0.343 . . . . 2.3300000000000001 111.211 177.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.74 -154.21 10.46 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.331 -0.708 . . . . 2.5899999999999999 111.331 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.0 tttp . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.475 -0.774 . . . . 4.4100000000000001 109.791 175.645 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.767 0.317 . . . . 3.6800000000000002 110.283 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.38 104.04 4.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.148 -0.478 . . . . 2.4199999999999999 110.939 -178.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 26.7 p-10 -73.8 -18.78 60.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.191 -0.458 . . . . 2.52 110.368 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -71.04 -23.98 62.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.68 -0.691 . . . . 1.8899999999999999 112.228 -173.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.588 ' HA ' ' HB3' ' B' ' 22' ' ' ALA . 15.6 ptmt -86.48 -20.87 27.44 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.901 -0.32 . . . . 1.49 110.658 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.44 -39.93 52.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.503 -0.925 . . . . 2.3399999999999999 108.503 172.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 5.9 tp -60.9 -42.59 98.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.554 -1.203 . . . . 0.69999999999999996 109.374 168.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.659 ' HB1' ' C ' ' B' ' 58' ' ' GLY . . . -59.42 -46.21 89.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.084 -0.962 . . . . 0.82999999999999996 110.864 175.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.545 ' CE1' ' HA ' ' B' ' 64' ' ' SER . 86.6 t80 -51.73 -41.58 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.243 -0.89 . . . . 2.9900000000000002 110.301 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.722 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . . . -55.33 -45.54 76.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.433 -0.803 . . . . 1.1399999999999999 111.69 177.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.55 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 46.1 mt -75.46 -45.07 40.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.848 -1.069 . . . . 0.96999999999999997 111.038 -170.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.785 HD12 HG23 ' B' ' 59' ' ' VAL . 7.0 mt -64.54 -46.82 91.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 C-N-CA 120.317 -0.553 . . . . 0.78000000000000003 110.266 175.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -60.98 -65.09 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.868 0.692 . . . . 1.5800000000000001 112.868 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' PHE . . . . . 0.612 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 34.9 t80 -58.19 -51.61 69.03 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.051 0.453 . . . . 1.98 111.236 -174.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' B' ' 25' ' ' ILE . 11.1 mp -61.02 -29.96 70.02 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.669 -0.696 . . . . 0.69999999999999996 111.712 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' B' ' 26' ' ' ILE . 25.5 t-80 -72.46 -42.5 64.92 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.718 0.294 . . . . 1.4099999999999999 110.616 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.21 -44.25 84.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 1.98 110.334 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -37.04 76.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 1.9299999999999999 110.022 175.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -60.58 -38.86 85.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 1.22 110.693 -178.466 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' B' ' 34' ' ' ARG . 25.0 tpt180 -83.13 -12.53 56.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.322 -0.399 . . . . 3.5 111.084 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -97.9 -28.92 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.725 0.298 . . . . 2.6899999999999999 111.58 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLY . . . . . 0.447 ' HA2' ' OE1' ' B' ' 43' ' ' GLN . . . 86.93 42.38 6.36 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.724 -0.75 . . . . 0.53000000000000003 112.123 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.12 -46.46 72.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.131 -0.557 . . . . 0.53000000000000003 113.293 -175.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.494 ' HG ' ' HB1' ' A' ' 56' ' ' ALA . 4.4 mm? -88.87 -101.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.603 -0.351 . . . . 0.82999999999999996 111.796 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.9 t -140.24 164.95 28.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.441 -0.207 . . . . 1.4199999999999999 110.441 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' SER . . . . . 0.57 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 44.6 m -60.96 -57.27 13.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.206 0.447 . . . . 1.6299999999999999 112.206 -174.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.97 -34.37 78.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.473 . . . . 2.21 110.403 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.58 ' HB1' ' HA ' ' A' ' 56' ' ' ALA . . . -58.56 -40.23 82.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.624 -0.716 . . . . 0.54000000000000004 110.796 175.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' B' ' 40' ' ' SER . 18.8 mt-30 -54.07 -67.43 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.704 -0.68 . . . . 1.5700000000000001 111.384 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.51 -34.24 61.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.96 -0.564 . . . . 2.3599999999999999 111.91 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 70.5 m -66.87 -33.77 76.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.504 0.187 . . . . 1.04 111.504 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.492 ' HB2' HD21 ' B' ' 33' ' ' LEU . 20.4 mt -69.12 -28.9 66.88 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.661 -0.416 . . . . 1.28 110.753 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.3 -39.53 93.29 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.285 -0.635 . . . . 1.75 109.285 175.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.3 t -65.55 -47.98 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.56 -0.745 . . . . 0.48999999999999999 109.727 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . . . -57.29 -46.58 83.02 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.299 -0.864 . . . . 0.47999999999999998 111.373 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 46.7 mt -56.28 -45.63 81.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.887 -0.597 . . . . 0.62 111.609 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.68 -37.27 56.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.882 -0.327 . . . . 1.8400000000000001 111.837 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 45' ' ' SER . 76.6 m -64.63 -38.67 91.8 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.583 0.706 . . . . 0.68999999999999995 109.483 174.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.44 ' HB3' ' HA3' ' B' ' 58' ' ' GLY . 19.9 mt -57.45 -51.77 68.1 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.4 -0.818 . . . . 0.76000000000000001 109.366 170.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.897 ' HA ' ' O ' ' B' ' 57' ' ' PHE . 5.8 tt0 -57.11 -22.85 42.88 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.932 0.77 . . . . 1.6599999999999999 110.737 -177.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -64.37 -45.26 88.48 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.182 -0.463 . . . . 1.1499999999999999 110.173 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.568 ' HA ' ' HB1' ' A' ' 42' ' ' ALA . . . -70.76 -70.21 0.32 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.778 -0.823 . . . . 1.1399999999999999 108.778 171.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' PHE . . . . . 0.897 ' O ' ' HA ' ' B' ' 54' ' ' GLU . 2.6 p90 -142.29 -39.64 0.36 Allowed 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.964 -0.562 . . . . 2.0600000000000001 110.202 153.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLY . . . . . 0.659 ' C ' ' HB1' ' B' ' 22' ' ' ALA . . . 34.71 -13.36 0.0 OUTLIER Glycine 0 C--N 1.309 -0.945 0 CA-C-N 112.879 -1.964 . . . . 2.6000000000000001 115.906 -161.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.785 HG23 HD12 ' B' ' 26' ' ' ILE . 2.7 t -179.7 -164.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.023 1 C-N-CA 132.506 4.323 . . . . 1.3500000000000001 102.744 151.217 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 60' ' ' THR . . . . . 0.701 ' H ' HG12 ' B' ' 59' ' ' VAL . 44.6 p -133.15 160.29 37.67 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.568 -1.253 . . . . 2.3799999999999999 107.935 142.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.64 -24.96 35.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 118.583 0.629 . . . . 2.21 110.933 -172.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.08 -26.39 66.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.704 -0.68 . . . . 4.0 111.486 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.676 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 9.0 t70 -78.37 -33.82 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.519 0.676 . . . . 3.6200000000000001 109.739 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.545 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 29.5 t -63.59 -24.66 67.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 2.9199999999999999 109.351 174.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -76.2 -34.92 59.28 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.222 -0.899 . . . . 3.46 111.085 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 4.0 pp -77.7 -44.83 26.67 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.008 -0.677 . . . . 1.8700000000000001 110.628 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.51 ' N ' HD12 ' B' ' 66' ' ' LEU . . . 47.2 115.71 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.747 1.018 . . . . 1.54 113.747 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.39 156.36 88.63 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.775 -0.648 . . . . 1.5600000000000001 110.412 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -44.18 -49.4 8.7 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.034 2.49 . . . . 2.75 112.939 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -118.56 166.78 12.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.65 -0.5 . . . . 2.7599999999999998 109.65 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.1 p -77.81 144.02 37.42 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.561 0.696 . . . . 1.55 109.707 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.722 ' HB2' ' HB2' ' B' ' 24' ' ' ALA . 3.3 mm? -66.51 -39.97 29.79 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.882 -1.053 . . . . 1.79 112.7 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.612 ' CG ' ' HB2' ' B' ' 28' ' ' PHE . 83.9 Cg_exo -45.79 -35.24 13.24 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.154 1.903 . . . . 1.0600000000000001 113.081 171.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.55 -39.49 73.94 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.173 0.511 . . . . 2.27 110.072 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.468 HD12 HD13 ' B' ' 72' ' ' LEU . 54.7 mt -66.73 -35.3 74.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.376 0.608 . . . . 1.3700000000000001 109.823 175.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 14.3 m-30 -73.78 -17.5 61.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.678 -0.692 . . . . 2.3700000000000001 110.347 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' GLU . . . . . 0.437 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 12.3 tp10 -78.1 -41.22 35.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.542 -0.754 . . . . 2.5099999999999998 110.018 175.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.25 -50.12 7.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.968 -0.56 . . . . 0.64000000000000001 112.141 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.16 -50.14 6.0 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.395 0.517 . . . . 0.98999999999999999 112.395 -173.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -65.2 -9.5 23.97 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.949 0.722 . . . . 1.55 112.949 -173.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -19.76 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.706 0.288 . . . . 2.3300000000000001 111.251 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.87 -154.53 10.81 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.445 -0.662 . . . . 2.5899999999999999 111.445 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.319 -0.848 . . . . 4.4000000000000004 109.774 175.447 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.2 mmt . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.958 0.408 . . . . 3.6800000000000002 110.545 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -82.31 76.23 9.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.093 -0.503 . . . . 2.3999999999999999 110.829 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.625 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 17.5 p-10 -70.62 -20.28 62.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 2.52 109.518 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.46 -27.25 69.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.333 -0.849 . . . . 1.8999999999999999 111.154 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HE3' ' OD2' ' A' ' 63' ' ' ASP . 18.6 mtmt -66.45 -49.42 66.75 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.544 0.688 . . . . 1.49 109.331 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -62.4 -38.68 90.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.473 -1.239 . . . . 2.3399999999999999 109.725 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.7 tp -53.83 -55.53 25.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.477 -0.783 . . . . 0.69999999999999996 110.337 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -61.33 -52.89 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.735 -0.666 . . . . 0.82999999999999996 111.503 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.609 ' OH ' ' HB2' ' A' ' 64' ' ' SER . 77.5 t80 -67.74 -39.1 84.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.147 0.425 . . . . 2.9900000000000002 112.147 -172.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.08 83.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.089 0.471 . . . . 1.1399999999999999 110.148 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.9 mt -68.66 -39.81 80.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.675 -0.693 . . . . 0.96999999999999997 110.025 173.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 22' ' ' ALA . 41.2 mt -53.42 -47.08 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.209 -0.45 . . . . 0.78000000000000003 111.055 174.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.07 -49.83 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 1.5800000000000001 111.379 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 68.6 t80 -63.74 -44.79 92.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.246 -0.434 . . . . 1.98 110.695 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.574 HD23 HD11 ' A' ' 46' ' ' LEU . 7.5 mp -67.18 -32.32 73.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.69999999999999996 111.034 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.44 -53.98 51.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.539 . . . . 1.4099999999999999 110.767 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.91 -23.43 41.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.936 -0.575 . . . . 1.98 111.187 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.35 -37.81 83.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.073 -0.714 . . . . 1.9199999999999999 109.073 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -47.18 87.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.948 -1.024 . . . . 1.22 109.529 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -64.28 -40.05 95.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.395 -0.82 . . . . 3.4900000000000002 110.767 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -72.75 -22.21 60.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.111 -0.495 . . . . 2.6800000000000002 111.199 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.85 38.79 18.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.091 -0.576 . . . . 0.53000000000000003 112.274 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.31 -48.58 85.45 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.096 -0.574 . . . . 0.52000000000000002 112.562 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 38' ' ' LEU . 2.9 mm? -86.13 -176.22 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.858 0.361 . . . . 0.82999999999999996 110.428 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 m -83.14 173.66 11.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.223 -0.444 . . . . 1.4199999999999999 110.146 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -57.0 -59.69 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.758 0.281 . . . . 1.6299999999999999 111.758 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.55 -36.78 83.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.017 0.436 . . . . 2.2000000000000002 110.411 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -61.89 -48.94 78.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.58 -0.736 . . . . 0.54000000000000004 110.666 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.5 -58.15 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 1.5600000000000001 111.584 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -48.95 -46.95 44.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.392 -0.822 . . . . 2.3599999999999999 111.93 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 t -67.18 -37.2 83.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.455 0.645 . . . . 1.04 110.076 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.574 HD11 HD23 ' A' ' 29' ' ' LEU . 28.6 tp -64.67 -37.87 89.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.358 -0.837 . . . . 1.28 110.888 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.07 -42.47 98.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 1.76 110.036 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.94 -43.2 98.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.766 -0.652 . . . . 0.48999999999999999 109.751 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.38 80.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.744 -0.662 . . . . 0.47999999999999998 111.242 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 46' ' ' LEU . 85.4 mt -54.88 -54.59 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 0.60999999999999999 111.043 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -66.91 -28.23 68.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 1.8400000000000001 111.249 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.5 m -74.64 -42.11 59.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.368 -0.378 . . . . 0.68999999999999995 110.475 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.81 -40.14 94.21 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.734 0.302 . . . . 0.76000000000000001 110.589 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -56.29 -48.02 77.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 1.6499999999999999 110.358 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 m -76.24 -31.03 58.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.699 -0.682 . . . . 1.1599999999999999 111.294 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.554 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -63.44 -59.19 4.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 1.1499999999999999 111.86 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -77.63 -7.39 56.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.032 0.444 . . . . 2.0499999999999998 110.807 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.06 31.87 72.61 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.744 -0.662 . . . . 2.6000000000000001 111.931 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.3 m -94.85 163.03 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.792 0.329 . . . . 1.3500000000000001 110.74 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 p -142.47 -172.04 3.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.907 -0.588 . . . . 2.3799999999999999 110.282 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.7 p -74.78 -6.23 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.842 0.83 . . . . 2.21 110.09 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.22 -25.44 67.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.083 -0.71 . . . . 4.0099999999999998 109.083 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.49 ' OD2' ' HE3' ' A' ' 19' ' ' LYS . 9.1 m-20 -72.89 -10.43 59.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.293 -0.867 . . . . 3.6200000000000001 110.264 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.609 ' HB2' ' OH ' ' A' ' 23' ' ' TYR . 22.6 t -80.56 -33.1 36.41 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.173 -0.677 . . . . 2.9100000000000001 109.173 173.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.71 -35.6 80.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.748 -0.66 . . . . 3.46 110.24 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 pp -104.09 23.7 12.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 1.8700000000000001 110.976 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 64' ' ' SER . . . -61.11 144.63 53.19 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.999 0.428 . . . . 1.53 111.106 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.499 HD12 HD21 ' A' ' 72' ' ' LEU . 90.2 mt -79.41 150.21 73.31 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.876 -0.602 . . . . 1.55 110.16 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -40.04 -51.05 3.26 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.92 3.08 . . . . 2.7400000000000002 113.704 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.88 154.74 26.98 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.106 -0.701 . . . . 2.75 109.106 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.6 p -71.76 140.15 49.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.444 0.64 . . . . 1.55 109.375 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 68' ' ' LEU . 56.4 mt -63.67 -37.7 31.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.031 -0.986 . . . . 1.79 113.544 -172.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.525 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 58.2 Cg_exo -45.09 -37.46 12.92 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.0 1.8 . . . . 1.0700000000000001 113.142 171.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.11 -48.7 79.0 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.163 0.506 . . . . 2.2799999999999998 110.244 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.44 -37.95 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.682 -0.69 . . . . 1.3799999999999999 110.212 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 13.1 m-30 -66.29 -36.46 83.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 2.3599999999999999 110.648 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.631 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 42.8 mt-10 -66.85 -20.56 65.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 2.52 110.955 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.94 -59.77 2.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.349 -0.387 . . . . 0.65000000000000002 111.156 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.07 -40.3 68.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.084 0.772 . . . . 0.98999999999999999 113.084 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -79.46 -30.12 42.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.892 0.377 . . . . 1.5600000000000001 111.196 -175.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -80.72 -29.04 36.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.262 0.553 . . . . 2.3300000000000001 110.638 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.81 98.49 0.49 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.982 -0.628 . . . . 2.5899999999999999 111.923 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.654 -0.688 . . . . 4.4100000000000001 109.893 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 21.2 mmt . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.933 0.397 . . . . 3.6800000000000002 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.34 77.13 9.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.149 0.5 . . . . 2.4199999999999999 110.767 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.631 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 17.3 p-10 -71.2 -20.14 62.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.968 -0.56 . . . . 2.52 109.612 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.53 -27.3 69.17 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.207 -0.906 . . . . 1.8899999999999999 111.163 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.502 ' HE3' ' OD2' ' B' ' 63' ' ' ASP . 18.7 mtmt -66.35 -49.46 66.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 121.673 0.749 . . . . 1.49 109.379 175.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -62.36 -38.6 90.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.492 -1.231 . . . . 2.3399999999999999 109.836 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 28.6 tp -53.87 -55.51 26.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.475 -0.784 . . . . 0.69999999999999996 110.299 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.44 ' O ' HG13 ' B' ' 26' ' ' ILE . . . -61.34 -52.96 62.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.667 -0.697 . . . . 0.82999999999999996 111.432 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.61 ' OH ' ' HB2' ' B' ' 64' ' ' SER . 77.5 t80 -67.72 -39.07 84.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.199 0.444 . . . . 2.9900000000000002 112.199 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.01 82.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 1.1399999999999999 110.179 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 32.4 mt -68.77 -39.87 80.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.55 -0.75 . . . . 0.96999999999999997 109.85 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.44 HG13 ' O ' ' B' ' 22' ' ' ALA . 41.4 mt -53.41 -47.02 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.309 -0.405 . . . . 0.78000000000000003 111.055 174.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.15 -49.66 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 1.5800000000000001 111.491 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.433 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 68.9 t80 -63.96 -44.47 92.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.123 -0.489 . . . . 1.98 110.816 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.59 HD23 HD11 ' B' ' 46' ' ' LEU . 7.5 mp -67.39 -32.4 73.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 0.69999999999999996 110.933 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -56.38 -53.97 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.528 . . . . 1.4099999999999999 110.734 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.87 -23.33 41.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 1.98 111.324 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.56 -37.69 83.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.016 -0.735 . . . . 1.9299999999999999 109.016 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -46.97 88.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.874 -1.057 . . . . 1.22 109.625 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -64.74 -39.66 94.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.281 -0.872 . . . . 3.5 110.696 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -73.24 -21.9 60.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.095 -0.502 . . . . 2.6899999999999999 111.066 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.73 38.58 19.81 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.078 -0.582 . . . . 0.53000000000000003 112.345 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.28 -48.41 86.28 Favored Glycine 0 C--N 1.329 0.161 0 C-N-CA 121.023 -0.608 . . . . 0.53000000000000003 112.554 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.436 HD22 ' N ' ' B' ' 38' ' ' LEU . 2.9 mm? -85.97 -175.91 5.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.756 0.313 . . . . 0.82999999999999996 110.476 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.4 m -83.52 173.66 11.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.323 -0.399 . . . . 1.4199999999999999 110.001 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -57.1 -59.46 5.04 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.815 0.302 . . . . 1.6299999999999999 111.815 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.47 -36.98 84.18 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.983 0.421 . . . . 2.21 110.39 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -61.79 -49.02 78.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.458 -0.792 . . . . 0.54000000000000004 110.629 177.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -55.47 -58.19 8.8 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.892 -0.594 . . . . 1.5700000000000001 111.604 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -48.75 -46.88 41.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.407 -0.815 . . . . 2.3599999999999999 112.045 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -67.29 -37.25 83.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.457 0.646 . . . . 1.04 110.055 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.59 HD11 HD23 ' B' ' 29' ' ' LEU . 28.5 tp -64.57 -37.88 89.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.323 -0.853 . . . . 1.28 110.911 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.2 -42.33 98.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.074 -0.512 . . . . 1.75 110.036 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.07 -43.04 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.828 -0.624 . . . . 0.48999999999999999 109.764 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.68 -44.3 81.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.649 . . . . 0.47999999999999998 111.173 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 46' ' ' LEU . 85.3 mt -54.81 -54.63 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.073 0.464 . . . . 0.62 111.068 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.69 -28.52 68.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.646 -0.706 . . . . 1.8400000000000001 111.246 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.1 m -74.71 -41.93 59.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.336 -0.393 . . . . 0.68999999999999995 110.404 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.75 -40.3 94.63 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.877 0.37 . . . . 0.76000000000000001 110.596 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.17 -48.33 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.691 -0.686 . . . . 1.6599999999999999 110.231 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -75.88 -31.45 59.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.704 -0.68 . . . . 1.1499999999999999 111.189 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.499 ' O ' ' HB1' ' A' ' 42' ' ' ALA . . . -63.16 -59.19 5.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.934 -0.576 . . . . 1.1399999999999999 111.756 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -77.59 -7.53 56.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.039 0.447 . . . . 2.0600000000000001 110.833 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.2 31.88 72.16 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.755 -0.657 . . . . 2.6000000000000001 111.882 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.9 162.42 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.76 0.314 . . . . 1.3500000000000001 110.851 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 31.6 p -141.62 -171.91 3.42 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.93 -0.577 . . . . 2.3799999999999999 110.363 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 p -74.65 -6.25 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.944 0.878 . . . . 2.21 110.339 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.28 -25.4 67.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.1 -0.704 . . . . 4.0 109.1 172.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.502 ' OD2' ' HE3' ' B' ' 19' ' ' LYS . 8.9 m-20 -72.87 -10.49 59.85 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.173 -0.921 . . . . 3.6200000000000001 110.261 175.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.61 ' HB2' ' OH ' ' B' ' 23' ' ' TYR . 22.8 t -80.57 -33.17 36.28 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.115 -0.698 . . . . 2.9199999999999999 109.115 173.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.61 -35.65 80.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.721 -0.672 . . . . 3.46 110.303 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 pp -103.98 23.38 13.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 1.8700000000000001 111.012 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' B' ' 64' ' ' SER . . . -60.82 144.76 51.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 1.54 111.109 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.494 HD12 HD21 ' B' ' 72' ' ' LEU . 89.8 mt -79.58 150.25 72.82 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.87 -0.605 . . . . 1.5600000000000001 110.248 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -40.62 -49.92 4.02 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.96 3.106 . . . . 2.75 113.846 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -114.71 154.77 27.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.02 -0.733 . . . . 2.7599999999999998 109.02 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 36.7 p -71.84 143.63 49.38 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.878 -0.786 . . . . 1.55 108.878 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.494 HD21 HD12 ' B' ' 68' ' ' LEU . 56.4 mt -66.57 -37.35 14.97 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.104 -0.953 . . . . 1.79 113.292 -171.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.525 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 60.6 Cg_exo -45.01 -37.43 12.5 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.064 1.843 . . . . 1.0600000000000001 113.206 171.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.21 -48.72 78.74 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.105 0.479 . . . . 2.27 110.231 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.4 -38.05 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.63 -0.714 . . . . 1.3700000000000001 110.189 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 13.2 m-30 -66.17 -36.59 83.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.018 -0.537 . . . . 2.3700000000000001 110.559 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.625 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 43.1 mt-10 -66.65 -21.86 66.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 2.5099999999999998 110.866 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.81 -60.5 1.94 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.036 0.446 . . . . 0.64000000000000001 111.406 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.93 -40.21 68.9 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.12 0.785 . . . . 0.98999999999999999 113.12 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -79.43 -30.25 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.822 0.344 . . . . 1.55 111.211 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -80.73 -28.72 36.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.154 0.502 . . . . 2.3300000000000001 110.659 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.97 98.52 0.48 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.885 -0.674 . . . . 2.5899999999999999 111.951 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.658 -0.687 . . . . 4.4000000000000004 109.853 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.21 -0.292 . . . . 3.6800000000000002 110.21 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 51.9 m-20 -114.36 78.11 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.034 0.445 . . . . 2.3999999999999999 110.95 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.559 ' CG ' ' HA ' ' B' ' 81' ' ' THR . 8.2 t30 -78.13 -4.49 47.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.53 0.681 . . . . 2.52 109.672 177.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 22.6 mmtp -57.18 -28.53 62.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.007 -0.997 . . . . 1.8999999999999999 111.073 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 16' ' ' ASP . 4.3 ptpp? -64.12 -47.18 80.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.429 . . . . 1.49 111.205 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.464 ' HD2' ' OD1' ' A' ' 17' ' ' ASN . 89.1 mtt180 -65.26 -29.84 70.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.3 0.571 . . . . 2.3399999999999999 109.755 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.525 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 21.7 tp -59.01 -55.81 30.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.189 -0.914 . . . . 0.69999999999999996 110.235 174.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -44.05 97.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.82999999999999996 111.122 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.75 -51.72 59.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.767 -0.651 . . . . 2.9900000000000002 111.356 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.606 ' HB1' ' HD3' ' A' ' 73' ' ' PRO . . . -65.33 -34.25 77.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.115 -0.493 . . . . 1.1399999999999999 111.377 -177.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 21' ' ' LEU . 79.0 mt -63.37 -46.97 94.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.572 -0.74 . . . . 0.96999999999999997 109.679 175.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -53.22 -46.25 56.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 0.78000000000000003 110.52 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -62.91 -53.69 50.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.315 -0.857 . . . . 1.5800000000000001 112.181 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.552 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 74.5 t80 -67.58 -48.52 66.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.808 0.337 . . . . 1.98 111.039 -176.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.3 mp -59.42 -33.56 71.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 0.69999999999999996 111.041 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -55.3 -58.14 8.94 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.031 0.443 . . . . 1.4099999999999999 110.902 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -40.25 70.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 1.98 111.235 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -59.12 -38.24 79.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.301 0.572 . . . . 1.9199999999999999 110.438 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.665 HD21 ' O ' ' A' ' 43' ' ' GLN . 1.3 tm? -64.68 -44.31 90.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.396 -0.82 . . . . 1.22 110.214 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -81.12 -2.46 48.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.865 -0.607 . . . . 3.4900000000000002 110.935 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -98.71 -5.72 30.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 2.6800000000000002 110.256 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.74 37.92 61.17 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.98 -0.629 . . . . 0.53000000000000003 112.166 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.11 -55.05 32.73 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.083 -0.58 . . . . 0.52000000000000002 112.827 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.481 HD23 HD11 ' A' ' 46' ' ' LEU . 3.0 mm? -92.5 -177.66 4.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.926 -0.161 . . . . 0.82999999999999996 110.653 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -73.45 -179.75 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.69 -0.232 . . . . 1.4199999999999999 110.906 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 t -64.87 -53.64 43.52 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.382 -0.198 . . . . 1.6299999999999999 111.398 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.83 -42.99 94.76 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.174 0.512 . . . . 2.2000000000000002 110.155 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.623 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -66.58 -34.59 78.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.104 -0.953 . . . . 0.54000000000000004 110.939 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.665 ' O ' HD21 ' A' ' 33' ' ' LEU . 52.5 tt0 -58.44 -51.5 69.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 1.5600000000000001 110.508 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.39 -32.15 69.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.816 -0.629 . . . . 2.3599999999999999 110.585 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -73.82 -35.68 64.88 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.649 -0.705 . . . . 1.04 111.452 -175.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.65 HD12 HD23 ' A' ' 33' ' ' LEU . 16.9 mt -61.58 -45.71 92.97 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 120.814 -0.354 . . . . 1.28 110.059 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.3 -46.69 69.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.526 -0.761 . . . . 1.76 110.587 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.09 -44.21 88.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.48999999999999999 110.265 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.84 -38.63 79.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.964 -0.562 . . . . 0.47999999999999998 111.547 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 46' ' ' LEU . 86.0 mt -56.85 -55.71 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.725 0.298 . . . . 0.60999999999999999 110.737 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -61.95 -35.01 77.17 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.305 -0.407 . . . . 1.8400000000000001 111.504 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.8 m -65.5 -49.25 69.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.566 -0.288 . . . . 0.68999999999999995 110.903 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.25 -41.18 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.67 0.271 . . . . 0.76000000000000001 110.807 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -56.47 -52.85 63.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.038 -0.528 . . . . 1.6499999999999999 110.631 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 m -68.22 -31.99 71.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.697 -0.683 . . . . 1.1599999999999999 111.308 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.653 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -73.9 -43.45 58.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.084 -0.507 . . . . 1.1499999999999999 112.158 -175.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -82.84 -20.29 35.92 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.995 0.426 . . . . 2.0499999999999998 110.82 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.61 32.77 40.49 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.759 -0.655 . . . . 2.6000000000000001 111.836 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.96 158.36 8.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.723 0.297 . . . . 1.3500000000000001 111.269 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 p -141.52 -170.45 3.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.944 -0.571 . . . . 2.3799999999999999 110.017 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.3 p -63.18 -15.2 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.347 0.594 . . . . 2.21 110.934 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -63.07 -23.73 67.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.186 0.517 . . . . 4.0099999999999998 110.198 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -71.54 -23.56 61.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.432 0.634 . . . . 3.6200000000000001 109.385 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 t -71.93 -26.55 62.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.639 -0.71 . . . . 2.9100000000000001 109.806 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.6 -41.06 93.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 3.46 110.038 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 pp -95.77 25.71 4.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.908 -0.587 . . . . 1.8700000000000001 111.129 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.23 159.67 14.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.278 0.561 . . . . 1.53 111.76 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.536 HD12 HD21 ' A' ' 72' ' ' LEU . 93.0 mt -86.43 158.49 54.6 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.623 -0.717 . . . . 1.55 110.669 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -43.15 -49.79 6.92 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.197 2.598 . . . . 2.7400000000000002 113.107 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -112.18 172.84 6.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.206 -0.452 . . . . 2.75 109.793 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.1 p -81.64 143.25 32.05 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.266 0.555 . . . . 1.55 110.068 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.56 HD23 ' HB2' ' A' ' 24' ' ' ALA . 3.5 mm? -69.07 -42.89 23.76 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.603 -0.726 . . . . 1.79 111.787 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.606 ' HD3' ' HB1' ' A' ' 24' ' ' ALA . 91.6 Cg_exo -42.53 -42.18 8.14 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.54 2.16 . . . . 1.0700000000000001 112.709 170.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.4 -43.72 93.53 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.25 -0.432 . . . . 2.2799999999999998 110.684 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.482 HD12 HD13 ' A' ' 72' ' ' LEU . 44.7 mt -63.5 -35.52 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.201 0.524 . . . . 1.3799999999999999 110.059 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.566 ' HA ' ' HB3' ' A' ' 80' ' ' ALA . 19.3 m-30 -66.99 -27.06 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.694 -0.685 . . . . 2.3599999999999999 111.056 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 46.2 mt-10 -84.21 -27.94 27.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.842 0.353 . . . . 2.52 110.727 178.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.433 ' O ' HG22 ' A' ' 81' ' ' THR . . . -89.58 -62.01 1.57 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.274 -0.421 . . . . 0.65000000000000002 111.995 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.99 -44.9 11.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.877 0.37 . . . . 0.98999999999999999 111.36 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 76' ' ' PHE . . . -72.25 -4.77 31.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.209 -0.451 . . . . 1.5600000000000001 112.104 -175.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.587 ' HA ' ' CG ' ' B' ' 17' ' ' ASN . 6.4 t -76.23 -13.88 60.16 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.509 -0.476 . . . . 2.3300000000000001 110.357 176.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.1 -87.21 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.909 -0.662 . . . . 2.5899999999999999 111.928 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.172 -0.677 . . . . 4.4100000000000001 109.172 179.327 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.295 -0.261 . . . . 3.6800000000000002 110.295 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 53.5 m-20 -114.34 77.99 1.11 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.954 0.407 . . . . 2.4199999999999999 110.932 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.587 ' CG ' ' HA ' ' A' ' 81' ' ' THR . 8.1 t30 -77.5 -5.41 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.613 0.72 . . . . 2.52 109.723 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 22.4 mmtp -56.42 -28.71 60.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.962 -1.017 . . . . 1.8899999999999999 111.167 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' B' ' 16' ' ' ASP . 4.3 ptpp? -64.07 -47.19 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 1.49 111.259 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.463 ' HD2' ' OD1' ' B' ' 17' ' ' ASN . 89.1 mtt180 -65.1 -30.0 70.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.398 0.618 . . . . 2.3399999999999999 109.814 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.522 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 21.9 tp -58.85 -56.03 27.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.14 -0.936 . . . . 0.69999999999999996 110.213 174.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.1 97.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.82999999999999996 111.138 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.8 -51.61 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.745 -0.662 . . . . 2.9900000000000002 111.364 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.608 ' HB1' ' HD3' ' B' ' 73' ' ' PRO . . . -65.34 -34.33 78.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.161 0.505 . . . . 1.1399999999999999 111.341 -177.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 21' ' ' LEU . 79.2 mt -63.47 -46.82 94.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.462 -0.79 . . . . 0.96999999999999997 109.687 175.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.25 -46.28 56.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.963 -0.562 . . . . 0.78000000000000003 110.487 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -63.01 -53.6 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.321 -0.854 . . . . 1.5800000000000001 112.19 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.551 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 74.6 t80 -67.59 -48.56 66.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.73 0.3 . . . . 1.98 111.025 -176.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.613 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.4 mp -59.28 -33.59 71.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 0.69999999999999996 111.116 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -55.27 -58.27 8.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 1.4099999999999999 110.913 176.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.12 -40.38 71.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 1.98 111.26 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -59.21 -38.14 79.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.253 0.549 . . . . 1.9299999999999999 110.305 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.677 HD21 ' O ' ' B' ' 43' ' ' GLN . 1.3 tm? -64.76 -44.07 91.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.533 -0.758 . . . . 1.22 110.271 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -81.09 -2.88 50.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.927 -0.579 . . . . 3.5 111.076 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -98.41 -5.79 31.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 2.6899999999999999 110.4 174.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.77 37.78 61.11 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.79 -0.641 . . . . 0.53000000000000003 112.185 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.94 -54.9 33.78 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.207 -0.52 . . . . 0.53000000000000003 112.844 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.487 HD23 HD11 ' B' ' 46' ' ' LEU . 3.0 mm? -92.65 -177.49 4.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.471 0.177 . . . . 0.82999999999999996 110.607 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -73.61 -179.77 3.72 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.658 -0.246 . . . . 1.4199999999999999 110.941 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.7 t -64.79 -53.71 42.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.541 0.21 . . . . 1.6299999999999999 111.35 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.83 -42.83 94.43 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.423 0.63 . . . . 2.21 110.151 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.653 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -66.65 -34.58 78.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.031 -0.986 . . . . 0.54000000000000004 111.027 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.677 ' O ' HD21 ' B' ' 33' ' ' LEU . 52.4 tt0 -58.65 -51.32 70.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.503 -0.771 . . . . 1.5700000000000001 110.495 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.43 -32.19 69.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.89 -0.595 . . . . 2.3599999999999999 110.646 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.1 t -73.74 -35.59 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.632 -0.713 . . . . 1.04 111.506 -175.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.664 HD12 HD23 ' B' ' 33' ' ' LEU . 16.7 mt -61.7 -45.73 92.72 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.802 -0.359 . . . . 1.28 110.087 176.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.32 -46.59 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.455 -0.793 . . . . 1.75 110.616 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.07 -44.31 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.054 -0.521 . . . . 0.48999999999999999 110.302 177.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.61 78.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.915 -0.584 . . . . 0.47999999999999998 111.601 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 46' ' ' LEU . 86.3 mt -56.79 -55.54 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.746 0.308 . . . . 0.62 110.789 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -62.02 -35.21 77.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 1.8400000000000001 111.454 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.0 m -65.31 -49.26 70.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.489 -0.323 . . . . 0.68999999999999995 110.912 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.24 -41.23 99.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.626 0.25 . . . . 0.76000000000000001 110.835 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -56.46 -52.93 62.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.024 -0.534 . . . . 1.6599999999999999 110.608 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -68.11 -32.11 72.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.744 -0.662 . . . . 1.1499999999999999 111.248 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.623 ' O ' ' HB1' ' A' ' 42' ' ' ALA . . . -73.79 -43.41 58.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.175 -0.466 . . . . 1.1399999999999999 112.249 -175.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -82.89 -20.18 35.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.077 0.465 . . . . 2.0600000000000001 110.756 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.38 33.03 40.7 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.638 -0.71 . . . . 2.6000000000000001 111.803 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.07 158.11 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.764 0.316 . . . . 1.3500000000000001 111.251 -175.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -141.39 -171.1 3.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.843 -0.617 . . . . 2.3799999999999999 110.058 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.7 p -62.64 -15.16 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.263 0.554 . . . . 2.21 111.004 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.16 -23.62 67.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.193 0.52 . . . . 4.0 110.325 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -71.5 -23.79 61.86 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.231 -0.655 . . . . 3.6200000000000001 109.231 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 9.8 t -71.61 -26.94 62.79 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.752 -0.658 . . . . 2.9199999999999999 109.739 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.1 -41.35 95.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.971 -0.559 . . . . 3.46 110.028 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -95.65 25.65 4.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 1.8700000000000001 111.093 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 159.58 14.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.324 0.583 . . . . 1.54 111.761 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.511 HD12 HD21 ' B' ' 72' ' ' LEU . 92.8 mt -86.35 158.29 55.06 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.585 -0.734 . . . . 1.5600000000000001 110.718 -178.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -43.13 -49.38 7.2 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.205 2.603 . . . . 2.75 113.303 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -112.35 173.01 6.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 2.7599999999999998 109.799 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 33.0 p -81.73 145.11 30.67 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.31 0.576 . . . . 1.55 109.843 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' B' ' 24' ' ' ALA . 3.5 mm? -70.55 -42.88 15.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.624 -0.716 . . . . 1.79 111.655 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.608 ' HD3' ' HB1' ' B' ' 24' ' ' ALA . 91.1 Cg_exo -42.6 -41.97 8.25 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.473 2.115 . . . . 1.0600000000000001 112.706 170.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.51 -43.79 92.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 2.27 110.663 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.503 HD12 HD13 ' B' ' 72' ' ' LEU . 44.9 mt -63.38 -35.76 73.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.192 0.52 . . . . 1.3700000000000001 110.021 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.58 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 19.3 m-30 -66.76 -27.5 67.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.642 -0.708 . . . . 2.3700000000000001 110.987 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.2 mt-10 -83.36 -29.13 28.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.958 0.409 . . . . 2.5099999999999998 110.8 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.431 ' O ' HG22 ' B' ' 81' ' ' THR . . . -88.05 -62.48 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.25 0.463 . . . . 0.64000000000000001 112.25 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.97 -45.27 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.916 0.388 . . . . 0.98999999999999999 111.391 -174.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.58 ' HB3' ' HA ' ' B' ' 76' ' ' PHE . . . -69.7 -9.46 54.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.011 -0.541 . . . . 1.55 112.193 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.559 ' HA ' ' CG ' ' A' ' 17' ' ' ASN . 6.0 t -73.23 -13.92 61.24 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.542 -0.463 . . . . 2.3300000000000001 110.667 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.26 -87.12 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.798 -0.715 . . . . 2.5899999999999999 112.059 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.094 -0.706 . . . . 4.4000000000000004 109.094 179.325 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.4 ' N ' ' SD ' ' A' ' 15' ' ' MET . 1.7 mpt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.929 -0.397 . . . . 3.6800000000000002 109.929 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.81 114.72 17.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 2.3999999999999999 110.601 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.15 -24.93 54.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.298 -0.41 . . . . 2.52 110.078 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -51.32 -46.67 62.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.833 -0.621 . . . . 1.8999999999999999 111.645 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HB2' HG12 ' A' ' 59' ' ' VAL . 13.3 ptmm? -71.09 -42.49 69.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.434 . . . . 1.49 111.453 -176.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.79 -33.94 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.098 0.475 . . . . 2.3399999999999999 110.615 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.1 tp -58.16 -50.35 73.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.605 -0.725 . . . . 0.69999999999999996 110.492 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.492 ' HB2' ' CD1' ' A' ' 57' ' ' PHE . . . -61.31 -49.86 75.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.82999999999999996 110.837 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 22.1 t80 -55.36 -48.15 74.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.815 -0.629 . . . . 2.9900000000000002 111.622 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.687 ' HB2' HD23 ' A' ' 72' ' ' LEU . . . -58.9 -42.84 90.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.056 -0.52 . . . . 1.1399999999999999 111.294 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.0 mt -69.32 -36.48 72.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.55 -0.75 . . . . 0.96999999999999997 110.311 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 22' ' ' ALA . 52.0 mt -57.18 -49.64 79.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 0.78000000000000003 110.928 174.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.497 ' O ' ' HB3' ' A' ' 30' ' ' HIS . 85.2 mm-40 -71.33 -37.65 71.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 1.5800000000000001 111.769 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.422 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 65.2 t80 -70.13 -48.27 58.19 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.697 -0.401 . . . . 1.98 110.547 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.5 mp -66.56 -23.92 66.28 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.299 -0.41 . . . . 0.69999999999999996 110.559 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.497 ' HB3' ' O ' ' A' ' 27' ' ' GLN . 29.8 t-80 -57.6 -55.38 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.263 0.554 . . . . 1.4099999999999999 110.72 173.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.15 -39.32 49.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.829 -0.623 . . . . 1.98 110.977 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -59.75 -30.5 68.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 1.9199999999999999 110.385 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.687 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -64.0 -50.44 68.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 1.22 109.868 177.567 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -71.68 -25.33 62.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.72 . . . . 3.4900000000000002 111.215 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -85.13 -10.93 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.738 0.304 . . . . 2.6800000000000002 111.499 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.14 43.53 63.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.958 -0.639 . . . . 0.53000000000000003 111.961 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.43 -45.55 92.84 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.426 -0.416 . . . . 0.52000000000000002 113.542 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.77 -106.13 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.934 0.367 . . . . 0.82999999999999996 111.57 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.596 ' H ' ' HB3' ' A' ' 42' ' ' ALA . 22.7 t -141.71 -177.12 5.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.669 -0.242 . . . . 1.4199999999999999 110.363 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.5 t -65.63 -55.91 15.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.653 0.264 . . . . 1.6299999999999999 111.061 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.04 -27.09 68.87 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.207 0.527 . . . . 2.2000000000000002 110.53 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.596 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -72.67 -35.22 67.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.723 -0.672 . . . . 0.54000000000000004 110.824 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.499 ' O ' HD21 ' A' ' 33' ' ' LEU . 41.4 mt-30 -57.97 -62.38 1.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.995 -0.548 . . . . 1.5600000000000001 111.427 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.37 -34.78 58.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.938 -0.573 . . . . 2.3599999999999999 111.271 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.2 m -67.46 -39.16 85.3 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.655 -0.248 . . . . 1.04 111.145 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.636 ' HB2' HD23 ' A' ' 33' ' ' LEU . 36.3 mt -61.71 -48.51 80.43 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 110.075 -0.343 . . . . 1.28 110.075 177.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.16 -44.52 83.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 1.76 110.851 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.69 -45.11 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.374 -0.375 . . . . 0.48999999999999999 110.45 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.56 92.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.47999999999999998 111.37 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 46' ' ' LEU . 87.5 mt -55.92 -48.6 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.402 . . . . 0.60999999999999999 110.448 177.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -67.89 -37.68 82.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.018 -0.537 . . . . 1.8400000000000001 110.882 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.0 m -64.52 -47.73 77.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.398 . . . . 0.68999999999999995 110.89 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.8 -31.45 72.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.605 -0.27 . . . . 0.76000000000000001 110.716 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.68 -55.07 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 1.6499999999999999 110.218 176.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.2 m -69.79 -30.16 67.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.456 . . . . 1.1599999999999999 111.012 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.05 -61.76 2.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 1.1499999999999999 111.74 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 22' ' ' ALA . 92.3 m-85 -79.97 -12.0 59.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.124 0.487 . . . . 2.0499999999999998 110.883 -178.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.74 38.71 49.78 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.533 -0.758 . . . . 2.6000000000000001 111.401 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.417 HG12 ' HB2' ' A' ' 19' ' ' LYS . 26.8 m -101.23 155.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.922 0.391 . . . . 1.3500000000000001 111.456 -174.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.1 p -141.21 -170.81 3.14 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.637 -0.71 . . . . 2.3799999999999999 109.745 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.83 -9.28 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.49 0.662 . . . . 2.21 110.673 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.18 -28.32 69.58 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.27 0.557 . . . . 4.0099999999999998 110.025 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -69.39 -23.1 63.68 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 115.686 -0.688 . . . . 3.6200000000000001 109.497 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 8.5 t -70.89 -31.87 68.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.89 -0.596 . . . . 2.9100000000000001 109.986 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -68.39 -28.99 67.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.501 . . . . 3.46 110.852 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 pp -106.07 23.22 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.336 -0.393 . . . . 1.8700000000000001 110.933 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.68 145.06 55.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 1.53 112.127 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.437 HD12 HD21 ' A' ' 72' ' ' LEU . 94.1 mt -72.48 155.39 91.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.256 -0.884 . . . . 1.55 109.784 175.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -45.27 -48.1 11.86 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.813 3.009 . . . . 2.7400000000000002 113.676 -173.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -120.49 169.44 10.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.658 -0.246 . . . . 2.75 110.412 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -69.56 140.13 53.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.263 0.554 . . . . 1.55 110.094 174.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.687 HD23 ' HB2' ' A' ' 24' ' ' ALA . 3.5 mm? -80.33 -35.38 0.88 Allowed Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.024 1.12 . . . . 1.79 114.024 -172.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 83.8 Cg_exo -48.33 -35.52 27.78 Favored 'Trans proline' 0 C--N 1.355 0.897 0 CA-C-N 121.068 1.417 . . . . 1.0700000000000001 112.652 172.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.37 -43.94 80.18 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.975 0.417 . . . . 2.2799999999999998 110.174 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.28 -40.55 78.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.864 -0.607 . . . . 1.3799999999999999 110.159 173.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 73' ' ' PRO . 14.2 m-30 -61.9 -43.11 99.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.804 -0.634 . . . . 2.3599999999999999 110.454 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 47.5 mt-10 -61.44 -26.96 68.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.94 0.4 . . . . 2.52 111.071 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.78 -49.03 7.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.65000000000000002 111.818 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.55 -45.14 12.89 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.542 0.571 . . . . 0.98999999999999999 112.542 -172.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -65.44 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.323 -0.399 . . . . 1.5600000000000001 111.813 -171.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 t -85.95 5.14 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.906 0.384 . . . . 2.3300000000000001 110.656 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.22 -22.3 63.28 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.893 -0.67 . . . . 2.5899999999999999 112.249 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 119.108 -0.472 . . . . 4.4100000000000001 110.236 179.839 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.41 ' N ' ' SD ' ' B' ' 15' ' ' MET . 1.7 mpt? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.937 -0.394 . . . . 3.6800000000000002 109.937 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.84 114.86 18.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.305 -0.407 . . . . 2.4199999999999999 110.654 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -76.59 -24.74 53.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.302 -0.408 . . . . 2.52 109.976 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -51.31 -46.67 62.62 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.758 -0.655 . . . . 1.8899999999999999 111.551 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.421 ' HB2' HG12 ' B' ' 59' ' ' VAL . 13.2 ptmm? -71.25 -42.36 68.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 1.49 111.438 -176.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.88 -33.87 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.057 0.456 . . . . 2.3399999999999999 110.577 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 17.9 tp -58.22 -50.24 74.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.632 -0.713 . . . . 0.69999999999999996 110.393 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.489 ' HB2' ' CD1' ' B' ' 57' ' ' PHE . . . -61.45 -49.76 75.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.959 -0.564 . . . . 0.82999999999999996 110.75 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 21.7 t80 -55.48 -48.09 75.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.875 -0.602 . . . . 2.9900000000000002 111.562 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.68 ' HB2' HD23 ' B' ' 72' ' ' LEU . . . -58.95 -42.81 90.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.196 0.522 . . . . 1.1399999999999999 111.295 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.41 -36.46 71.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.488 -0.778 . . . . 0.96999999999999997 110.317 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.445 HG13 ' O ' ' B' ' 22' ' ' ALA . 51.4 mt -57.2 -49.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 0.78000000000000003 110.934 174.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.496 ' O ' ' HB3' ' B' ' 30' ' ' HIS . 85.5 mm-40 -71.38 -37.7 71.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.404 -0.362 . . . . 1.5800000000000001 111.791 -176.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.425 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 65.5 t80 -70.1 -48.32 58.12 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.776 -0.37 . . . . 1.98 110.511 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.659 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.5 mp -66.57 -23.75 66.25 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.344 -0.389 . . . . 0.69999999999999996 110.601 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' B' ' 27' ' ' GLN . 30.2 t-80 -57.77 -55.36 35.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.227 0.537 . . . . 1.4099999999999999 110.697 173.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.05 -39.41 50.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.875 -0.602 . . . . 1.98 110.838 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -59.74 -30.49 68.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.173 0.511 . . . . 1.9299999999999999 110.505 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.659 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 1.0 OUTLIER -63.93 -50.59 68.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.741 -0.663 . . . . 1.22 109.869 177.458 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -71.48 -25.36 62.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.552 -0.749 . . . . 3.5 111.187 -177.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -85.1 -11.21 55.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.712 0.291 . . . . 2.6899999999999999 111.441 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.77 42.56 61.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.946 -0.645 . . . . 0.53000000000000003 112.005 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.01 -45.31 92.49 Favored Glycine 0 C--N 1.329 0.182 0 C-N-CA 121.426 -0.416 . . . . 0.53000000000000003 113.552 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.74 -107.12 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.857 0.328 . . . . 0.82999999999999996 111.529 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.586 ' H ' ' HB3' ' B' ' 42' ' ' ALA . 22.2 t -140.17 -176.77 4.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.644 -0.253 . . . . 1.4199999999999999 110.57 -177.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.7 t -65.84 -55.76 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.685 0.279 . . . . 1.6299999999999999 111.021 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.11 -27.16 68.9 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.226 0.536 . . . . 2.21 110.543 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.586 ' HB3' ' H ' ' B' ' 39' ' ' SER . . . -72.56 -35.19 67.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.712 -0.676 . . . . 0.54000000000000004 110.832 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.501 ' O ' HD21 ' B' ' 33' ' ' LEU . 41.5 mt-30 -58.14 -62.32 1.91 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.028 -0.533 . . . . 1.5700000000000001 111.418 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -53.28 -34.85 58.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.065 -0.516 . . . . 2.3599999999999999 111.357 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.6 m -67.19 -39.31 86.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.626 -0.261 . . . . 1.04 111.186 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.631 ' HB2' HD23 ' B' ' 33' ' ' LEU . 35.6 mt -61.74 -48.44 80.69 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 110.098 -0.334 . . . . 1.28 110.098 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.15 -44.64 83.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 1.75 110.947 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 81.5 t -66.66 -45.07 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.48999999999999999 110.45 177.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.58 92.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.302 -0.408 . . . . 0.47999999999999998 111.405 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 46' ' ' LEU . 88.0 mt -55.82 -48.61 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.62 110.517 177.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -67.81 -37.8 82.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 1.8400000000000001 110.834 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.4 m -64.67 -47.48 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.68999999999999995 110.922 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.97 -31.39 71.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.709 0.29 . . . . 0.76000000000000001 110.679 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -58.76 -55.05 40.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 1.6599999999999999 110.307 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.8 m -69.82 -30.11 67.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 1.1499999999999999 110.926 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.41 ' HB1' HD21 ' A' ' 46' ' ' LEU . . . -60.0 -61.87 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 1.1399999999999999 111.774 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' B' ' 22' ' ' ALA . 92.5 m-85 -80.05 -11.58 59.76 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.021 0.439 . . . . 2.0600000000000001 110.851 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.49 38.81 51.65 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.62 -0.718 . . . . 2.6000000000000001 111.386 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' B' ' 19' ' ' LYS . 27.1 m -101.49 155.79 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.093 0.473 . . . . 1.3500000000000001 111.404 -174.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.2 p -141.25 -171.51 3.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.417 -0.811 . . . . 2.3799999999999999 109.802 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.9 p -68.2 -9.27 10.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.524 0.678 . . . . 2.21 110.786 176.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.18 -28.28 69.56 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.302 0.572 . . . . 4.0 110.045 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.59 -22.98 63.47 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.631 -0.713 . . . . 3.6200000000000001 109.439 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.423 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 8.6 t -70.87 -32.15 69.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.873 -0.603 . . . . 2.9199999999999999 109.997 178.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -68.02 -29.11 68.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 3.46 110.822 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 pp -106.02 23.21 14.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.967 0.413 . . . . 1.8700000000000001 110.886 176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.57 144.89 55.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.856 -0.611 . . . . 1.54 112.226 -175.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.435 HD12 HD21 ' B' ' 72' ' ' LEU . 93.6 mt -72.3 155.26 91.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.204 -0.907 . . . . 1.5600000000000001 109.833 175.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -45.24 -47.83 12.13 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.832 3.021 . . . . 2.75 113.822 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -120.76 169.52 10.33 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.383 -0.228 . . . . 2.7599999999999998 110.383 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.1 p -69.93 143.56 52.67 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.3 0.572 . . . . 1.55 109.576 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.68 HD23 ' HB2' ' B' ' 24' ' ' ALA . 3.5 mm? -82.68 -35.5 0.68 Allowed Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 113.82 1.044 . . . . 1.79 113.82 -172.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.494 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 81.0 Cg_exo -48.31 -35.35 27.2 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.401 1.401 . . . . 1.0600000000000001 112.625 172.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.58 -43.9 79.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.874 0.368 . . . . 2.27 110.135 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mm -58.28 -40.52 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 115.948 -0.569 . . . . 1.3700000000000001 110.218 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' B' ' 73' ' ' PRO . 14.3 m-30 -61.97 -43.03 99.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.806 -0.634 . . . . 2.3700000000000001 110.427 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 47.8 mt-10 -61.55 -27.19 68.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.802 0.334 . . . . 2.5099999999999998 110.997 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.34 -49.02 7.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.297 -0.41 . . . . 0.64000000000000001 111.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.48 -45.19 12.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.407 0.521 . . . . 0.98999999999999999 112.407 -172.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.1 -64.09 0.98 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.957 0.355 . . . . 1.55 111.957 -170.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.5 t -86.79 4.79 39.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.992 0.425 . . . . 2.3300000000000001 110.638 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.09 -22.21 63.79 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.066 -0.588 . . . . 2.5899999999999999 112.284 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.247 0.959 0 CA-C-O 119.113 -0.47 . . . . 4.4000000000000004 110.158 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.781 0.324 . . . . 3.6800000000000002 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -88.86 132.11 34.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.205 0.526 . . . . 2.3999999999999999 110.234 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -82.89 -35.18 26.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.547 -0.752 . . . . 2.52 111.259 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.518 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 3.1 mppt? -62.45 -32.67 73.58 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.552 0.575 . . . . 1.8999999999999999 112.552 -170.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -65.46 -39.08 91.57 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.91 -0.316 . . . . 1.49 111.04 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' NH2' ' HA ' ' B' ' 81' ' ' THR . 35.4 mtm180 -74.72 -32.97 62.29 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.451 -0.574 . . . . 2.3399999999999999 109.451 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.518 ' HB3' ' HA ' ' A' ' 18' ' ' LYS . 9.5 tp -54.31 -50.04 68.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.987 -1.006 . . . . 0.69999999999999996 110.084 172.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.621 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -56.7 -53.38 58.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.534 -0.757 . . . . 0.82999999999999996 111.116 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 29.9 t80 -55.33 -44.49 75.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 2.9900000000000002 111.504 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.667 ' HB2' HD23 ' A' ' 72' ' ' LEU . . . -59.73 -42.46 93.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.169 0.509 . . . . 1.1399999999999999 111.087 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.478 HG23 HD13 ' A' ' 29' ' ' LEU . 74.0 mt -69.94 -37.65 73.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.388 -0.824 . . . . 0.96999999999999997 110.4 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 61.5 mt -54.63 -49.42 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.78000000000000003 110.547 174.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -68.6 -51.19 45.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.416 -0.357 . . . . 1.5800000000000001 111.879 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.19 -48.72 80.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 1.98 110.933 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.9 mp -69.26 -27.32 65.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.583 -0.28 . . . . 0.69999999999999996 111.361 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 50.3 t-80 -67.13 -48.86 66.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.393 . . . . 1.4099999999999999 110.21 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -69.36 -43.67 73.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.986 -0.552 . . . . 1.98 110.555 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.873 -0.603 . . . . 1.9199999999999999 110.444 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' A' ' 46' ' ' LEU . 1.5 tm? -62.39 -52.83 62.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 1.22 109.782 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -69.13 -30.57 68.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 3.4900000000000002 110.512 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -76.05 -24.79 55.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 2.6800000000000002 111.048 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.64 39.74 8.07 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.154 -0.545 . . . . 0.53000000000000003 112.279 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.91 -42.58 99.65 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.169 -0.539 . . . . 0.52000000000000002 113.504 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.512 HD23 HD11 ' A' ' 46' ' ' LEU . 3.4 mm? -104.06 -173.96 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.815 0.307 . . . . 0.82999999999999996 110.77 -177.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -77.65 -171.78 2.33 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.55 -0.296 . . . . 1.4199999999999999 111.028 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.9 m -67.87 -58.81 3.96 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.104 0.409 . . . . 1.6299999999999999 112.104 -173.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -62.84 -35.29 79.47 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.465 0.65 . . . . 2.2000000000000002 109.847 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.14 -36.91 85.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.048 -0.978 . . . . 0.54000000000000004 110.889 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.466 ' O ' HD21 ' A' ' 33' ' ' LEU . 25.4 tt0 -61.4 -51.26 69.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.627 . . . . 1.5600000000000001 109.856 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.31 -37.98 73.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.527 -0.76 . . . . 2.3599999999999999 110.432 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m -66.96 -31.8 72.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.583 -0.735 . . . . 1.04 111.812 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.671 ' HB2' HD23 ' A' ' 33' ' ' LEU . 20.3 mt -61.93 -53.34 57.07 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 121.04 -0.264 . . . . 1.28 110.662 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 39.5 tt0 -55.44 -44.84 76.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.941 -0.572 . . . . 1.76 110.827 -176.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.1 t -61.84 -47.72 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.48999999999999999 110.509 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.52 96.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.017 -0.538 . . . . 0.47999999999999998 111.393 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 46' ' ' LEU . 83.9 mt -56.19 -50.7 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.60999999999999999 110.735 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 73.3 mm-40 -64.56 -37.17 86.63 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.215 0.531 . . . . 1.8400000000000001 110.851 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 72.5 m -68.19 -48.18 65.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.817 -0.629 . . . . 0.68999999999999995 111.282 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.3 -35.57 81.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.563 0.221 . . . . 0.76000000000000001 110.88 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -57.42 -51.24 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 1.6499999999999999 109.868 175.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.9 m -67.63 -34.3 76.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.521 -0.763 . . . . 1.1599999999999999 110.907 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.8 -63.67 1.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.647 -0.706 . . . . 1.1499999999999999 112.165 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.621 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 96.3 m-85 -77.04 -2.53 34.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.839 0.352 . . . . 2.0499999999999998 111.22 -176.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.71 34.83 66.69 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.105 -0.569 . . . . 2.6000000000000001 111.743 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -100.29 152.99 4.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.062 0.458 . . . . 1.3500000000000001 110.842 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.3 p -137.06 -170.06 2.63 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.759 -0.655 . . . . 2.3799999999999999 109.75 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 64' ' ' SER . 14.5 p -69.54 -12.48 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 121.796 0.808 . . . . 2.21 110.267 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.17 -31.08 72.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.513 0.673 . . . . 4.0099999999999998 109.446 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' HA ' ' HG ' ' A' ' 66' ' ' LEU . 8.2 m-20 -75.62 -8.0 55.69 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.397 -0.82 . . . . 3.6200000000000001 110.241 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 22.9 t -80.33 -29.35 38.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.131 -0.692 . . . . 2.9100000000000001 109.131 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.73 -41.42 92.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 3.46 110.641 175.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 63' ' ' ASP . 3.2 pp -90.34 28.96 1.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.116 0.484 . . . . 1.8700000000000001 111.407 178.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.6 160.63 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.836 -0.62 . . . . 1.53 111.665 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.54 HD12 HD21 ' A' ' 72' ' ' LEU . 84.8 mt -97.15 158.94 32.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.608 -0.724 . . . . 1.55 110.016 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -43.0 -49.3 7.07 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.584 2.856 . . . . 2.7400000000000002 114.143 -175.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -123.67 177.11 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.175 -0.306 . . . . 2.75 110.175 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.5 p -70.72 142.1 51.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.237 0.541 . . . . 1.55 109.598 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.667 HD23 ' HB2' ' A' ' 24' ' ' ALA . 3.9 mm? -76.59 -34.87 1.4 Allowed Pre-proline 0 C--N 1.321 -0.662 0 CA-C-O 118.531 -0.747 . . . . 1.79 112.671 -176.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.438 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 68.1 Cg_exo -48.0 -31.05 15.08 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.382 1.388 . . . . 1.0700000000000001 112.604 168.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' HG2' ' A' ' 77' ' ' GLU . 31.9 tt0 -74.89 -35.19 62.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.489 0.661 . . . . 2.2799999999999998 110.147 176.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.7 mm -63.42 -40.11 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.367 -0.605 . . . . 1.3799999999999999 109.367 172.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 11.0 m-30 -66.2 -45.12 81.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.22 -0.9 . . . . 2.3599999999999999 110.698 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' A' ' 74' ' ' GLU . 12.5 pt-20 -64.48 -19.1 65.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.844 0.354 . . . . 2.52 110.923 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.94 -63.56 1.28 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.418 -0.356 . . . . 0.65000000000000002 111.121 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -50.1 38.26 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.259 0.466 . . . . 0.98999999999999999 112.259 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.42 ' HB1' HD12 ' B' ' 72' ' ' LEU . . . -72.98 -11.65 60.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.912 -0.585 . . . . 1.5600000000000001 111.541 -173.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.434 ' HA ' ' NH2' ' B' ' 20' ' ' ARG . 42.1 m -99.85 -18.36 17.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.282 0.563 . . . . 2.3300000000000001 110.208 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.81 46.9 2.72 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.935 -0.65 . . . . 2.5899999999999999 112.798 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.3 tttt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.503 -0.761 . . . . 4.4100000000000001 109.691 176.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.728 0.299 . . . . 3.6800000000000002 110.204 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -88.96 132.15 34.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.158 0.504 . . . . 2.4199999999999999 110.217 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -83.01 -35.08 26.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.561 -0.745 . . . . 2.52 111.157 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.498 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 3.1 mppt? -62.61 -32.76 73.83 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.44 0.533 . . . . 1.8899999999999999 112.44 -170.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -65.25 -39.27 92.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.018 -0.273 . . . . 1.49 111.008 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.434 ' NH2' ' HA ' ' A' ' 81' ' ' THR . 35.3 mtm180 -74.58 -33.13 62.58 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.424 -0.584 . . . . 2.3399999999999999 109.424 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' B' ' 18' ' ' LYS . 9.5 tp -54.21 -50.1 67.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.985 -1.007 . . . . 0.69999999999999996 110.133 172.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.623 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -56.62 -53.38 58.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.647 -0.706 . . . . 0.82999999999999996 111.123 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.583 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 30.0 t80 -55.29 -44.58 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 2.9900000000000002 111.431 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.668 ' HB2' HD23 ' B' ' 72' ' ' LEU . . . -59.68 -42.39 92.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.217 0.532 . . . . 1.1399999999999999 111.106 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.471 HG23 HD13 ' B' ' 29' ' ' LEU . 74.2 mt -70.03 -37.58 72.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.435 -0.802 . . . . 0.96999999999999997 110.409 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' B' ' 30' ' ' HIS . 61.3 mt -54.61 -49.6 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.78000000000000003 110.43 174.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -68.45 -51.39 44.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 1.5800000000000001 111.774 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.0 -48.87 79.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 1.98 110.892 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.593 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.9 mp -69.08 -27.36 65.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.602 -0.272 . . . . 0.69999999999999996 111.423 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' B' ' 26' ' ' ILE . 50.2 t-80 -67.17 -48.84 66.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.938 0.399 . . . . 1.4099999999999999 110.265 177.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.15 -43.94 73.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.045 -0.525 . . . . 1.98 110.537 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -61.8 -29.1 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.9299999999999999 110.5 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' B' ' 46' ' ' LEU . 1.5 tm? -62.28 -52.95 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.634 -0.712 . . . . 1.22 109.643 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -69.02 -30.7 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.57 -0.741 . . . . 3.5 110.531 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -75.9 -25.08 55.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.86 -0.609 . . . . 2.6899999999999999 111.017 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.88 39.69 7.97 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 121.127 -0.558 . . . . 0.53000000000000003 112.264 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.12 -42.1 99.58 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.236 -0.507 . . . . 0.53000000000000003 113.591 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.525 HD23 HD11 ' B' ' 46' ' ' LEU . 3.5 mm? -104.49 -173.95 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.872 0.336 . . . . 0.82999999999999996 110.709 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -77.42 -171.89 2.29 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.47 -0.332 . . . . 1.4199999999999999 110.954 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.9 m -67.87 -59.02 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.108 0.41 . . . . 1.6299999999999999 112.108 -173.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -62.78 -35.26 79.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.551 0.691 . . . . 2.21 109.867 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.9 85.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.017 -0.992 . . . . 0.54000000000000004 110.902 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.464 ' O ' HD21 ' B' ' 33' ' ' LEU . 25.4 tt0 -61.32 -51.46 68.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.626 . . . . 1.5700000000000001 109.808 178.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.22 -37.89 72.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.669 -0.696 . . . . 2.3599999999999999 110.504 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.5 m -66.92 -31.97 72.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.595 -0.73 . . . . 1.04 111.895 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.699 ' HB2' HD23 ' B' ' 33' ' ' LEU . 20.3 mt -61.74 -53.56 54.43 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 121.066 -0.253 . . . . 1.28 110.609 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 40.0 tt0 -55.28 -44.86 76.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.959 -0.564 . . . . 1.75 110.873 -176.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.78 -47.87 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.48999999999999999 110.437 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.55 96.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.546 . . . . 0.47999999999999998 111.431 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 46' ' ' LEU . 83.6 mt -56.14 -50.75 68.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.62 110.8 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 73.7 mm-40 -64.7 -37.27 87.01 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.031 -0.531 . . . . 1.8400000000000001 110.731 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 72.3 m -68.04 -48.12 66.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.902 -0.59 . . . . 0.68999999999999995 111.282 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.27 -35.66 81.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.703 0.287 . . . . 0.76000000000000001 110.853 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -57.4 -51.33 69.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.23 0.538 . . . . 1.6599999999999999 109.972 175.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.9 m -67.28 -34.7 77.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.543 -0.753 . . . . 1.1499999999999999 110.849 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.48 -63.75 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.642 -0.708 . . . . 1.1399999999999999 112.237 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.623 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 96.3 m-85 -76.92 -2.67 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.869 0.366 . . . . 2.0600000000000001 111.259 -176.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.83 34.65 65.94 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.112 -0.566 . . . . 2.6000000000000001 111.836 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.06 153.22 4.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.058 0.456 . . . . 1.3500000000000001 110.976 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -137.49 -171.15 2.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.613 -0.722 . . . . 2.3799999999999999 109.718 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' B' ' 64' ' ' SER . 14.6 p -68.79 -12.41 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.773 0.797 . . . . 2.21 110.236 175.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -63.15 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.585 0.707 . . . . 4.0 109.419 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.401 ' HA ' ' HG ' ' B' ' 66' ' ' LEU . 8.5 m-20 -75.6 -7.88 55.37 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.377 -0.829 . . . . 3.6200000000000001 110.231 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.583 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 22.8 t -80.48 -29.51 37.39 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.197 -0.668 . . . . 2.9199999999999999 109.197 173.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.34 -41.67 93.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.94 -0.573 . . . . 3.46 110.708 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' B' ' 66' ' ' LEU . 3.2 pp -89.57 27.29 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.158 0.504 . . . . 1.8700000000000001 111.452 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.34 160.66 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 1.54 111.769 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.512 HD12 HD21 ' B' ' 72' ' ' LEU . 85.1 mt -97.28 159.08 32.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.589 -0.732 . . . . 1.5600000000000001 110.021 177.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -43.12 -49.26 7.28 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.679 2.919 . . . . 2.75 114.118 -175.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -123.97 176.73 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.066 -0.346 . . . . 2.7599999999999998 110.066 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 73.4 p -70.55 144.59 51.23 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.298 -0.63 . . . . 1.55 109.298 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.668 HD23 ' HB2' ' B' ' 24' ' ' ALA . 3.9 mm? -78.49 -34.67 1.05 Allowed Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 118.642 -0.694 . . . . 1.79 112.61 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.435 ' HA ' ' CD2' ' B' ' 76' ' ' PHE . 67.4 Cg_exo -48.06 -31.13 15.49 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.426 1.418 . . . . 1.0600000000000001 112.572 168.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' B' ' 77' ' ' GLU . 32.1 tt0 -74.9 -35.28 62.25 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.337 0.589 . . . . 2.27 110.11 176.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 22.6 mm -63.35 -40.03 87.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.384 0.611 . . . . 1.3700000000000001 109.357 172.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 10.9 m-30 -66.26 -45.04 81.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.239 -0.892 . . . . 2.3700000000000001 110.654 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 74' ' ' GLU . 12.5 pt-20 -64.6 -19.26 65.56 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.764 -0.375 . . . . 2.5099999999999998 110.876 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.48 -63.96 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.886 0.374 . . . . 0.64000000000000001 111.107 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.96 40.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.32 0.489 . . . . 0.98999999999999999 112.32 -174.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -72.78 -12.44 61.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.872 -0.604 . . . . 1.55 111.454 -173.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.448 ' HA ' ' NH2' ' A' ' 20' ' ' ARG . 45.2 m -99.52 -18.01 17.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 2.3300000000000001 110.301 173.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.95 46.79 2.69 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.903 -0.665 . . . . 2.5899999999999999 112.771 -175.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 77.2 tttt . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.378 -0.82 . . . . 4.4000000000000004 109.867 177.058 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.598 0.237 . . . . 3.6800000000000002 110.952 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.429 ' OD1' ' HG3' ' A' ' 19' ' ' LYS . 16.2 m-20 -83.34 75.86 9.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.122 0.487 . . . . 2.3999999999999999 111.462 -173.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.89 -43.75 12.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.125 -0.489 . . . . 2.52 110.62 176.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -66.83 -43.28 84.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.98 0.419 . . . . 1.8999999999999999 110.334 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.429 ' HG3' ' OD1' ' A' ' 16' ' ' ASP . 2.6 mmmm -59.25 -58.05 10.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.552 -0.749 . . . . 1.49 110.907 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -72.34 -19.48 61.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.163 -0.926 . . . . 2.3399999999999999 110.997 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.458 HD13 ' CE2' ' B' ' 76' ' ' PHE . 14.0 tp -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.298 -0.63 . . . . 0.69999999999999996 109.298 171.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.567 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -63.27 -50.12 71.37 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.466 -0.788 . . . . 0.82999999999999996 110.561 178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.506 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -54.26 -48.29 71.33 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.277 0.36 . . . . 2.9900000000000002 111.194 -177.384 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.443 ' HB1' ' HD3' ' A' ' 73' ' ' PRO . . . -67.11 -41.12 86.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.466 -0.334 . . . . 1.1399999999999999 111.24 -175.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.56 -41.94 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.96999999999999997 110.43 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 22' ' ' ALA . 90.3 mt -57.69 -50.62 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.655 0.265 . . . . 0.78000000000000003 110.736 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -62.41 -46.96 86.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 1.5800000000000001 111.662 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.33 -47.07 83.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.38 . . . . 1.98 110.564 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.8 mp -72.15 -22.05 61.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.69999999999999996 111.467 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -70.53 -46.97 62.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.021 -0.363 . . . . 1.4099999999999999 110.021 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.69 -44.6 89.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 1.98 110.026 177.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.453 HE22 HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -60.78 -37.17 80.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 1.9199999999999999 110.871 176.767 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.588 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.47 -48.02 76.79 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.573 -0.528 . . . . 1.22 109.573 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.03 -32.73 74.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.786 -0.643 . . . . 3.4900000000000002 110.404 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -77.99 -20.89 51.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.753 -0.658 . . . . 2.6800000000000002 111.496 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.19 43.71 12.88 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.063 -0.589 . . . . 0.53000000000000003 111.96 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.78 -62.86 4.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.119 -0.562 . . . . 0.52000000000000002 113.237 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.15 -178.51 6.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.868 0.366 . . . . 0.82999999999999996 111.257 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -69.73 174.65 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 1.4199999999999999 111.455 -177.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.3 t -60.85 -55.65 30.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.673 0.273 . . . . 1.6299999999999999 111.228 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.8 -40.75 93.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 2.2000000000000002 110.437 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.537 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -57.93 -47.2 83.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.7 -0.682 . . . . 0.54000000000000004 110.908 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.414 ' HA ' HD21 ' A' ' 33' ' ' LEU . 27.7 mt-30 -53.58 -60.2 3.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.777 -0.647 . . . . 1.5600000000000001 111.323 177.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -49.11 -43.25 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.228 -0.896 . . . . 2.3599999999999999 111.259 176.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.8 m -67.65 -34.49 77.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 1.04 111.671 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 32.2 mt -65.52 -39.58 92.0 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 121.026 -0.27 . . . . 1.28 110.453 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.15 -40.33 77.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.17 0.509 . . . . 1.76 110.15 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.62 -48.65 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.777 -0.647 . . . . 0.48999999999999999 110.218 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.79 -39.94 82.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.47999999999999998 111.475 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 58.1 mt -55.74 -55.67 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.046 -0.525 . . . . 0.60999999999999999 110.944 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.64 -32.97 74.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.688 0.28 . . . . 1.8400000000000001 111.317 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.3 m -66.53 -51.44 56.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.335 -0.393 . . . . 0.68999999999999995 110.948 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.64 -38.36 89.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.045 0.45 . . . . 0.76000000000000001 110.301 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 42.3 tt0 -54.61 -53.2 57.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.33 -0.85 . . . . 1.6499999999999999 110.507 176.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -70.26 -30.86 68.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.038 -0.528 . . . . 1.1599999999999999 111.044 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -62.88 1.36 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 1.1499999999999999 112.231 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 95.3 m-85 -75.21 -12.27 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.356 -0.383 . . . . 2.0499999999999998 111.12 -175.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.56 28.43 47.61 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.77 -0.729 . . . . 2.6000000000000001 111.643 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 27.0 m -103.48 152.21 6.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.394 -0.224 . . . . 1.3500000000000001 110.394 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.528 ' OG1' ' HG2' ' A' ' 62' ' ' GLU . 12.7 p -141.98 -169.15 2.86 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.591 -0.522 . . . . 2.3799999999999999 109.591 176.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -56.67 -27.28 25.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 120.836 0.351 . . . . 2.21 111.685 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.528 ' HG2' ' OG1' ' A' ' 60' ' ' THR . 12.7 pt-20 -65.24 -24.88 67.45 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.05 0.452 . . . . 4.0099999999999998 110.675 178.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 2.9 t70 -75.71 -17.81 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.789 0.804 . . . . 3.6200000000000001 109.051 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.506 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 36.6 t -81.86 -19.79 40.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.395 -0.82 . . . . 2.9100000000000001 109.583 174.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -75.93 -27.2 57.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 3.46 110.895 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 2.2 pp -88.0 31.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.368 0.604 . . . . 1.8700000000000001 109.935 172.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -47.54 150.18 1.02 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.592 -1.186 . . . . 1.53 113.124 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.9 mt -96.72 149.38 35.72 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 115.342 -0.844 . . . . 1.55 110.461 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -42.34 -51.58 4.84 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.422 2.748 . . . . 2.7400000000000002 112.584 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -103.61 150.01 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.423 -0.808 . . . . 2.75 109.621 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.2 p -79.86 139.74 37.04 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.173 -0.677 . . . . 1.55 109.173 171.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.528 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 65.4 mt -79.97 -37.5 1.1 Allowed Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 113.466 0.913 . . . . 1.79 113.466 -168.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.588 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 52.5 Cg_exo -57.79 -31.01 91.17 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.151 1.234 . . . . 1.0700000000000001 111.97 170.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -69.02 -47.53 65.22 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.924 -0.398 . . . . 2.2799999999999998 109.924 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.6 mm -52.95 -42.9 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.462 0.648 . . . . 1.3799999999999999 109.882 171.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 2.2 t80 -60.65 -36.92 79.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.973 -1.012 . . . . 2.3599999999999999 110.826 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 45.9 mt-10 -65.53 -27.11 68.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.762 0.315 . . . . 2.52 111.098 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.69 -45.2 10.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.65000000000000002 111.136 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.61 19.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.217 0.451 . . . . 0.98999999999999999 112.217 -175.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.58 -8.43 55.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.599 0.592 . . . . 1.5600000000000001 112.599 -170.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 p -93.75 5.35 51.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.241 0.543 . . . . 2.3300000000000001 110.628 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.18 -124.21 0.77 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.24 -0.744 . . . . 2.5899999999999999 111.24 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.247 0.967 0 CA-C-O 119.078 -0.487 . . . . 4.4100000000000001 110.31 176.781 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.567 0.222 . . . . 3.6800000000000002 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' B' ' 19' ' ' LYS . 15.8 m-20 -83.54 76.81 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.502 . . . . 2.4199999999999999 111.153 -173.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.85 -44.14 12.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.158 -0.474 . . . . 2.52 110.654 176.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -66.85 -43.11 84.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 1.8899999999999999 110.382 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.411 ' HG3' ' OD1' ' B' ' 16' ' ' ASP . 2.5 mmmm -59.24 -58.25 9.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.515 -0.766 . . . . 1.49 110.872 -178.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -72.2 -19.37 61.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.25 -0.886 . . . . 2.3399999999999999 111.091 -173.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 76' ' ' PHE . 14.0 tp -59.74 -49.61 77.06 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.306 -0.628 . . . . 0.69999999999999996 109.306 171.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.561 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -63.42 -49.97 71.65 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.426 -0.806 . . . . 0.82999999999999996 110.521 178.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' B' ' 64' ' ' SER . 0.0 OUTLIER -54.26 -48.35 71.28 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.244 0.34 . . . . 2.9900000000000002 111.169 -177.44 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.443 ' HB1' ' HD3' ' B' ' 73' ' ' PRO . . . -67.12 -41.2 86.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.458 -0.337 . . . . 1.1399999999999999 111.113 -175.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 35.1 mt -67.64 -41.78 85.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.301 -0.408 . . . . 0.96999999999999997 110.394 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.44 HG13 ' O ' ' B' ' 22' ' ' ALA . 90.6 mt -57.68 -50.8 76.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.61 0.243 . . . . 0.78000000000000003 110.711 177.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -62.21 -47.15 85.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 1.5800000000000001 111.606 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -63.17 -46.89 85.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.004 0.431 . . . . 1.98 110.651 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.8 mp -72.2 -22.15 61.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.234 -0.439 . . . . 0.69999999999999996 111.517 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -70.38 -47.05 62.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.361 . . . . 1.4099999999999999 110.132 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.71 -44.4 90.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 1.98 110.033 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.458 HE22 HD12 ' B' ' 46' ' ' LEU . 0.7 OUTLIER -61.06 -37.08 81.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.517 -0.765 . . . . 1.9299999999999999 110.862 176.746 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -64.41 -48.02 76.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.633 -0.506 . . . . 1.22 109.633 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.03 -32.73 74.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 3.5 110.391 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -78.11 -21.0 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 2.6899999999999999 111.391 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.84 42.52 12.79 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.936 -0.649 . . . . 0.53000000000000003 112.052 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.17 -62.8 4.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.066 -0.587 . . . . 0.53000000000000003 113.137 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.22 -178.41 6.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.818 0.342 . . . . 0.82999999999999996 111.321 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.9 m -69.81 174.73 4.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 1.4199999999999999 111.398 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -60.84 -55.69 30.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 1.6299999999999999 111.094 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -60.89 -40.5 93.27 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.228 -0.442 . . . . 2.21 110.531 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -58.1 -47.11 84.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.66 -0.7 . . . . 0.54000000000000004 110.799 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.407 ' HA ' HD21 ' B' ' 33' ' ' LEU . 27.6 mt-30 -53.62 -60.1 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 1.5700000000000001 111.358 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -49.31 -43.07 43.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.168 -0.924 . . . . 2.3599999999999999 111.302 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 39.5 m -67.69 -34.59 77.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 1.04 111.664 -178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 31.8 mt -65.4 -39.51 92.29 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 121.024 -0.27 . . . . 1.28 110.504 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.28 -40.3 77.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.167 0.508 . . . . 1.75 110.075 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 23.5 t -69.67 -48.5 64.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.793 -0.639 . . . . 0.48999999999999999 110.229 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.63 82.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.902 -0.59 . . . . 0.47999999999999998 111.482 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 57.9 mt -55.89 -55.68 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 0.62 110.928 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.6 -33.05 74.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.571 -0.286 . . . . 1.8400000000000001 111.336 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.7 m -66.44 -51.65 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.3 -0.409 . . . . 0.68999999999999995 110.869 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.56 -38.32 89.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.072 0.463 . . . . 0.76000000000000001 110.278 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 42.3 tt0 -54.68 -53.24 57.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.363 -0.835 . . . . 1.6599999999999999 110.452 176.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.5 m -70.34 -30.61 67.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.022 -0.535 . . . . 1.1499999999999999 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.98 -63.05 1.26 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.162 -0.472 . . . . 1.1399999999999999 112.221 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 94.9 m-85 -75.08 -12.12 60.25 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.318 -0.401 . . . . 2.0600000000000001 111.241 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.34 28.72 47.56 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.855 -0.688 . . . . 2.6000000000000001 111.603 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 26.9 m -103.82 151.57 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.672 0.272 . . . . 1.3500000000000001 110.382 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' THR . . . . . 0.531 ' OG1' ' HG2' ' B' ' 62' ' ' GLU . 13.7 p -141.52 -170.46 3.1 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.621 -0.511 . . . . 2.3799999999999999 109.621 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -55.61 -27.53 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 120.698 0.285 . . . . 2.21 111.741 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.531 ' HG2' ' OG1' ' B' ' 60' ' ' THR . 12.7 pt-20 -65.11 -24.74 67.51 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.015 0.436 . . . . 4.0 110.737 178.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.414 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 3.0 t70 -75.76 -17.89 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.829 0.823 . . . . 3.6200000000000001 109.037 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 34.7 t -81.8 -19.89 40.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.404 -0.817 . . . . 2.9199999999999999 109.594 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -75.83 -27.27 57.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 3.46 110.878 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 2.2 pp -86.91 28.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.302 0.572 . . . . 1.8700000000000001 110.157 172.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' B' ' 64' ' ' SER . . . -45.58 149.81 0.55 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 114.658 -1.155 . . . . 1.54 113.372 -177.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 98.1 mt -96.51 149.43 35.83 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.28 -0.873 . . . . 1.5600000000000001 110.546 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -43.01 -50.29 6.37 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.341 2.694 . . . . 2.75 112.855 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -104.42 150.07 24.86 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 2.7599999999999998 109.511 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 10.6 p -79.73 143.28 34.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.703 -0.851 . . . . 1.55 108.703 171.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 67.3 mt -82.49 -37.57 0.78 Allowed Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 113.249 0.833 . . . . 1.79 113.249 -168.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.589 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 53.1 Cg_exo -57.8 -31.04 91.29 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.154 1.236 . . . . 1.0600000000000001 111.999 170.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.04 -47.66 64.83 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.798 -0.445 . . . . 2.27 109.798 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 17.5 mm -52.86 -42.97 44.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.415 0.626 . . . . 1.3700000000000001 109.842 171.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 2.2 t80 -60.54 -36.93 79.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.94 -1.027 . . . . 2.3700000000000001 110.858 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.5 mt-10 -65.47 -27.75 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.665 0.269 . . . . 2.5099999999999998 111.027 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.85 -45.16 10.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.962 0.411 . . . . 0.64000000000000001 111.315 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.13 -50.72 18.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.217 0.451 . . . . 0.98999999999999999 112.217 -175.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.26 -11.11 60.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.611 0.597 . . . . 1.55 112.611 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 17.1 p -92.03 5.09 51.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.174 0.512 . . . . 2.3300000000000001 110.767 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.78 -124.34 0.79 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.354 -0.699 . . . . 2.5899999999999999 111.354 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.246 0.88 0 CA-C-O 119.354 -0.355 . . . . 4.4000000000000004 110.154 176.502 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 90.7 mtp . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.103 -0.332 . . . . 3.6800000000000002 110.103 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 17.7 m-20 -77.47 105.89 8.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.14 -0.482 . . . . 2.3999999999999999 110.295 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -76.49 -14.3 60.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.41 0.624 . . . . 2.52 109.612 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -59.07 -35.92 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.326 -0.852 . . . . 1.8999999999999999 111.103 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 16' ' ' ASP . 21.0 ptmt -70.67 -38.71 73.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 1.49 110.593 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' CZ ' HD21 ' A' ' 68' ' ' LEU . 37.1 mtm180 -73.56 -21.73 60.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.606 0.717 . . . . 2.3399999999999999 110.037 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.557 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 30.5 tp -61.92 -39.53 92.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.209 -0.905 . . . . 0.69999999999999996 109.704 171.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.664 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -64.82 -54.56 29.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.305 -0.861 . . . . 0.82999999999999996 112.095 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -58.02 -40.03 79.81 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.716 0.293 . . . . 2.9900000000000002 110.466 -174.145 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HB1' ' HD3' ' A' ' 73' ' ' PRO . . . -64.32 -38.63 91.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.155 0.502 . . . . 1.1399999999999999 110.873 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.09 -44.3 74.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.538 -0.755 . . . . 0.96999999999999997 110.032 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.445 HG23 HG23 ' A' ' 50' ' ' ILE . 87.6 mt -56.14 -48.79 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.859 -0.61 . . . . 0.78000000000000003 110.606 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 81.3 mm-40 -58.65 -43.69 89.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.771 -0.649 . . . . 1.5800000000000001 111.632 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.541 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 40.6 t80 -71.68 -53.85 12.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.404 -0.362 . . . . 1.98 111.052 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.63 -31.01 69.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.69999999999999996 111.355 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -56.1 -57.08 13.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.147 0.499 . . . . 1.4099999999999999 110.765 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.11 -34.91 64.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.845 -0.616 . . . . 1.98 110.805 -176.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -60.15 -41.01 91.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.987 0.422 . . . . 1.9199999999999999 110.533 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.429 HD23 HD12 ' A' ' 46' ' ' LEU . 3.3 tm? -62.87 -45.49 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 1.22 109.735 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -66.62 -24.17 66.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.724 -0.671 . . . . 3.4900000000000002 111.167 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -94.17 -2.94 51.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.452 -0.34 . . . . 2.6800000000000002 111.351 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.64 41.86 98.93 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.991 -0.549 . . . . 0.53000000000000003 112.438 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.45 -48.75 84.49 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.246 -0.502 . . . . 0.52000000000000002 113.094 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.14 -176.25 4.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.5 0.191 . . . . 0.82999999999999996 110.929 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 t -69.64 -176.66 1.07 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.583 -0.28 . . . . 1.4199999999999999 111.119 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 11.4 p -62.78 -64.22 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.109 0.411 . . . . 1.6299999999999999 112.109 -174.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.8 -32.7 74.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.267 0.556 . . . . 2.2000000000000002 110.695 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.53 85.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.611 -0.722 . . . . 0.54000000000000004 110.71 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 40' ' ' SER . 25.6 mt-30 -59.69 -57.24 13.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 1.5600000000000001 110.939 174.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 48' ' ' VAL . 54.7 mm-40 -46.1 -41.02 11.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.379 -0.828 . . . . 2.3599999999999999 111.143 174.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.4 m -66.12 -29.38 69.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.817 -0.629 . . . . 1.04 111.697 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.526 ' O ' HG13 ' A' ' 50' ' ' ILE . 46.2 mt -62.55 -53.17 58.6 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 110.185 -0.302 . . . . 1.28 110.185 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -55.25 -45.96 76.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 1.76 110.911 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 44' ' ' GLU . 20.5 t -60.56 -49.13 85.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.48999999999999999 110.359 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.36 96.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.861 -0.609 . . . . 0.47999999999999998 111.285 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 46' ' ' LEU . 85.2 mt -56.37 -50.66 70.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.182 -0.463 . . . . 0.60999999999999999 110.532 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -63.24 -41.71 99.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 1.8400000000000001 110.698 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.64 -50.48 66.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.594 . . . . 0.68999999999999995 111.501 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.47 -35.41 80.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.54 0.21 . . . . 0.76000000000000001 111.269 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.03 -53.41 58.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.14 0.495 . . . . 1.6499999999999999 109.95 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.0 m -68.74 -33.92 74.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 1.1599999999999999 111.1 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -58.6 -55.54 33.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 1.1499999999999999 111.811 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.664 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 98.6 m-85 -81.29 -6.36 58.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.726 0.298 . . . . 2.0499999999999998 111.106 -178.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.56 31.73 65.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.091 -0.575 . . . . 2.6000000000000001 112.041 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.9 m -104.67 162.9 4.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.447 . . . . 1.3500000000000001 111.187 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.1 p -140.64 -169.58 2.82 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.067 -0.716 . . . . 2.3799999999999999 109.067 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.0 -21.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.415 0.626 . . . . 2.21 109.975 174.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HA ' ' OD2' ' A' ' 65' ' ' ASP . 31.8 mt-10 -64.11 -24.73 67.8 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.517 -0.765 . . . . 4.0099999999999998 110.93 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -74.32 -23.22 59.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 3.6200000000000001 109.322 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 13.9 t -80.46 -16.34 54.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.483 -0.781 . . . . 2.9100000000000001 109.583 175.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.476 ' OD2' ' HA ' ' A' ' 62' ' ' GLU . 5.8 m-20 -71.69 -40.33 69.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.173 -0.467 . . . . 3.46 110.284 173.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -87.88 31.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.473 0.654 . . . . 1.8700000000000001 110.32 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -50.21 152.84 1.62 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.685 -1.143 . . . . 1.53 113.375 -176.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.483 HD21 ' CZ ' ' A' ' 20' ' ' ARG . 88.3 mt -82.72 167.18 31.57 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 114.883 -1.053 . . . . 1.55 110.33 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 68' ' ' LEU . 5.5 Cg_exo -39.85 -48.62 3.64 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 123.695 2.93 . . . . 2.7400000000000002 112.684 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -135.38 153.38 51.84 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.96 -0.756 . . . . 2.75 108.96 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -70.59 142.23 51.72 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.379 0.609 . . . . 1.55 110.027 176.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 73' ' ' PRO . 28.4 mt -66.93 -30.55 3.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 114.34 1.237 . . . . 1.79 114.34 -170.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.541 ' CG ' ' HB2' ' A' ' 28' ' ' PHE . 20.8 Cg_exo -36.58 -45.84 1.18 Allowed 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.777 2.318 . . . . 1.0700000000000001 113.919 170.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 31.7 tt0 -72.77 -37.38 67.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.951 0.405 . . . . 2.2799999999999998 110.626 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.8 mm -58.81 -38.68 73.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.003 0.43 . . . . 1.3799999999999999 109.985 174.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.487 ' CD2' ' HA ' ' A' ' 73' ' ' PRO . 18.4 m-30 -60.18 -42.22 94.53 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.598 -0.728 . . . . 2.3599999999999999 110.713 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 13.1 pt-20 -80.69 -24.83 38.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.751 0.31 . . . . 2.52 111.028 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.75 -64.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.273 0.472 . . . . 0.65000000000000002 112.273 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.72 -27.98 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.949 0.405 . . . . 0.98999999999999999 111.968 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -75.89 -19.96 58.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.215 -0.448 . . . . 1.5600000000000001 111.671 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -98.77 15.91 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.471 . . . . 2.3300000000000001 110.817 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.37 124.72 1.43 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.83 -0.7 . . . . 2.5899999999999999 112.272 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.408 -0.806 . . . . 4.4100000000000001 109.835 177.733 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.162 -0.31 . . . . 3.6800000000000002 110.162 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.61 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 18.9 m-20 -77.18 105.77 8.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.238 -0.437 . . . . 2.4199999999999999 110.533 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -76.52 -14.43 60.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.302 0.573 . . . . 2.52 109.542 176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 0.9 OUTLIER -59.05 -35.81 73.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.347 -0.842 . . . . 1.8899999999999999 111.122 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' B' ' 16' ' ' ASP . 21.0 ptmt -70.72 -38.71 73.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.565 -0.289 . . . . 1.49 110.667 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.479 ' CZ ' HD21 ' B' ' 68' ' ' LEU . 37.2 mtm180 -73.66 -21.6 60.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.557 0.694 . . . . 2.3399999999999999 109.942 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.557 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 30.5 tp -61.98 -39.45 92.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.313 -0.858 . . . . 0.69999999999999996 109.639 171.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.659 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -64.99 -54.61 27.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.369 -0.832 . . . . 0.82999999999999996 111.982 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.444 ' O ' ' HG2' ' B' ' 27' ' ' GLN . 0.3 OUTLIER -58.03 -39.94 79.61 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-O 120.733 0.302 . . . . 2.9900000000000002 110.51 -174.106 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.453 ' HB1' ' HD3' ' B' ' 73' ' ' PRO . . . -64.3 -38.6 91.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 1.1399999999999999 110.903 -177.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.21 -44.27 73.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.604 -0.725 . . . . 0.96999999999999997 110.045 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.442 HG23 HG23 ' B' ' 50' ' ' ILE . 87.8 mt -56.01 -49.0 77.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.78000000000000003 110.577 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 80.2 mm-40 -58.62 -43.58 89.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 1.5800000000000001 111.745 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.544 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 40.2 t80 -71.77 -53.69 12.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 1.98 111.049 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.73 -31.18 69.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.69999999999999996 111.315 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -55.86 -57.16 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.177 0.513 . . . . 1.4099999999999999 110.78 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.05 -34.88 64.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.831 -0.622 . . . . 1.98 110.92 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -60.12 -40.98 91.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.988 0.423 . . . . 1.9299999999999999 110.538 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.446 HD23 HD12 ' B' ' 46' ' ' LEU . 3.3 tm? -62.86 -45.41 92.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.808 -0.633 . . . . 1.22 109.723 177.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -66.96 -23.82 66.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.841 -0.618 . . . . 3.5 111.164 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -94.23 -3.19 51.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.791 0.329 . . . . 2.6899999999999999 111.362 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.94 41.46 98.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.117 -0.563 . . . . 0.53000000000000003 112.483 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.33 -48.55 85.43 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.195 -0.526 . . . . 0.53000000000000003 113.153 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.2 -176.2 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.404 0.145 . . . . 0.82999999999999996 111.012 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.9 t -69.82 -176.46 1.08 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.695 0.283 . . . . 1.4199999999999999 111.109 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 11.8 p -63.09 -63.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.182 0.438 . . . . 1.6299999999999999 112.182 -174.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.96 -32.75 74.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.245 0.545 . . . . 2.21 110.599 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -60.66 -38.59 85.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.656 -0.702 . . . . 0.54000000000000004 110.713 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' B' ' 40' ' ' SER . 25.3 mt-30 -59.67 -57.25 13.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.765 -0.652 . . . . 1.5700000000000001 110.803 175.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.409 ' O ' HG23 ' B' ' 48' ' ' VAL . 54.3 mm-40 -46.03 -41.02 11.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.392 -0.822 . . . . 2.3599999999999999 111.241 174.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 29.8 m -66.19 -29.31 69.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.868 -0.605 . . . . 1.04 111.686 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.517 ' O ' HG13 ' B' ' 50' ' ' ILE . 46.0 mt -62.5 -53.27 57.18 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 110.199 -0.297 . . . . 1.28 110.199 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -55.24 -45.89 76.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.744 -0.662 . . . . 1.75 110.891 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 44' ' ' GLU . 20.4 t -60.64 -49.12 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.48999999999999999 110.394 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.28 96.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.766 -0.652 . . . . 0.47999999999999998 111.264 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.517 HG13 ' O ' ' B' ' 46' ' ' LEU . 85.2 mt -56.43 -50.63 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.62 110.543 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -63.28 -41.64 99.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 1.8400000000000001 110.782 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.63 -50.62 66.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.904 -0.589 . . . . 0.68999999999999995 111.402 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.49 -35.42 80.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.559 0.219 . . . . 0.76000000000000001 111.307 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.05 -53.09 62.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.195 0.521 . . . . 1.6599999999999999 109.943 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.0 m -69.12 -33.72 73.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.519 -0.764 . . . . 1.1499999999999999 111.104 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.4 35.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 1.1399999999999999 111.813 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.659 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 98.6 m-85 -81.27 -6.38 58.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.853 0.359 . . . . 2.0600000000000001 111.17 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.51 31.93 65.13 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.124 -0.56 . . . . 2.6000000000000001 111.96 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -104.77 163.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.003 0.43 . . . . 1.3500000000000001 111.172 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 29.8 p -141.06 -170.84 3.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.564 -0.744 . . . . 2.3799999999999999 109.05 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.98 -21.68 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.432 0.634 . . . . 2.21 110.092 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.463 ' HA ' ' OD2' ' B' ' 65' ' ' ASP . 31.7 mt-10 -64.02 -24.83 67.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.577 -0.738 . . . . 4.0 110.917 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.24 -23.14 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 3.6200000000000001 109.259 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' B' ' 67' ' ' ALA . 14.3 t -80.32 -16.58 54.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.491 -0.777 . . . . 2.9199999999999999 109.555 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.463 ' OD2' ' HA ' ' B' ' 62' ' ' GLU . 5.9 m-20 -71.71 -39.92 69.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.124 -0.489 . . . . 3.46 110.477 173.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -87.1 28.23 0.95 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.277 0.561 . . . . 1.8700000000000001 110.617 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' B' ' 64' ' ' SER . . . -48.3 152.66 0.83 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.904 -1.043 . . . . 1.54 113.519 -175.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.479 HD21 ' CZ ' ' B' ' 20' ' ' ARG . 88.2 mt -82.82 167.02 32.46 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 114.72 -1.127 . . . . 1.5600000000000001 110.314 177.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' B' ' 68' ' ' LEU . 5.5 Cg_exo -39.89 -48.58 3.68 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.697 2.931 . . . . 2.75 112.756 176.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -135.15 153.33 52.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.909 -0.774 . . . . 2.7599999999999998 108.909 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -70.67 144.62 51.0 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.419 0.628 . . . . 1.55 109.716 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.556 ' N ' ' HD2' ' B' ' 73' ' ' PRO . 28.8 mt -68.93 -30.51 2.36 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 114.177 1.177 . . . . 1.79 114.177 -170.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' B' ' 72' ' ' LEU . 20.7 Cg_exo -36.48 -45.71 1.12 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.712 2.275 . . . . 1.0600000000000001 113.972 170.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' B' ' 77' ' ' GLU . 31.7 tt0 -72.94 -37.42 67.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.929 0.395 . . . . 2.27 110.587 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 25.7 mm -58.85 -38.61 73.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.967 0.413 . . . . 1.3700000000000001 109.944 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.476 ' CD2' ' HA ' ' B' ' 73' ' ' PRO . 18.6 m-30 -60.29 -42.13 94.84 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.602 -0.726 . . . . 2.3700000000000001 110.721 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 74' ' ' GLU . 13.1 pt-20 -80.6 -25.46 38.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.776 0.322 . . . . 2.5099999999999998 110.951 -177.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.75 -64.42 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.41 0.522 . . . . 0.64000000000000001 112.41 -174.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.09 -27.81 63.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.023 0.44 . . . . 0.98999999999999999 111.956 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -75.98 -19.96 58.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.116 -0.493 . . . . 1.55 111.588 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.1 p -98.58 15.66 24.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.111 0.482 . . . . 2.3300000000000001 110.853 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.66 125.24 1.44 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.878 -0.677 . . . . 2.5899999999999999 112.168 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.331 -0.842 . . . . 4.4000000000000004 109.955 177.536 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.285 -0.265 . . . . 3.6800000000000002 110.285 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.91 127.57 32.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.447 -0.342 . . . . 2.3999999999999999 110.468 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.637 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 13.3 p-10 -84.94 -14.13 48.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.257 -0.429 . . . . 2.52 110.3 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.66 -48.84 78.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.744 -0.662 . . . . 1.8999999999999999 111.086 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -63.14 -46.61 86.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 1.49 111.337 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.77 -34.83 79.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.248 0.547 . . . . 2.3399999999999999 110.625 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 tp -58.08 -51.44 69.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.303 -0.862 . . . . 0.69999999999999996 110.082 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -64.04 -48.54 75.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.82999999999999996 110.87 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 8.1 t80 -52.58 -53.03 52.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 2.9900000000000002 112.029 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.33 83.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.391 -0.368 . . . . 1.1399999999999999 111.19 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.6 mt -69.86 -39.24 77.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.105 -0.498 . . . . 0.96999999999999997 110.35 177.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 22' ' ' ALA . 49.8 mt -54.76 -55.91 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.255 -0.43 . . . . 0.78000000000000003 111.091 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.28 -44.83 93.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 1.5800000000000001 111.765 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.404 ' HB2' ' HG2' ' A' ' 73' ' ' PRO . 85.4 t80 -65.82 -46.32 79.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.547 -0.297 . . . . 1.98 110.988 -178.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.702 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 mp -64.05 -36.71 84.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.67 -0.241 . . . . 0.69999999999999996 110.501 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.77 -50.95 70.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 1.4099999999999999 110.687 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.84 -34.06 68.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.489 -0.323 . . . . 1.98 110.784 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.47 -37.64 81.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 1.9199999999999999 110.536 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 46' ' ' LEU . 66.9 mt -66.79 -43.44 83.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 1.22 110.422 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.87 -26.96 65.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 3.4900000000000002 110.955 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -89.72 -2.59 58.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.87 0.367 . . . . 2.6800000000000002 111.139 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.44 40.66 91.34 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.949 -0.569 . . . . 0.53000000000000003 112.815 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.78 -36.92 92.87 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.001 -0.619 . . . . 0.52000000000000002 112.598 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.84 178.34 4.5 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.231 -0.285 . . . . 0.82999999999999996 110.231 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.3 t -74.75 179.97 4.51 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.91 -0.404 . . . . 1.4199999999999999 109.91 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -63.44 -58.16 7.93 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.325 -0.235 . . . . 1.6299999999999999 111.558 -173.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.99 -38.42 88.53 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.34 0.591 . . . . 2.2000000000000002 110.722 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' B' ' 56' ' ' ALA . . . -63.49 -38.43 91.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.427 -0.806 . . . . 0.54000000000000004 110.596 177.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.501 ' HG3' HD22 ' A' ' 33' ' ' LEU . 51.6 tt0 -60.01 -47.92 83.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.573 -0.739 . . . . 1.5600000000000001 110.226 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 48' ' ' VAL . 36.6 mt-10 -62.58 -40.9 98.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.651 -0.704 . . . . 2.3599999999999999 110.221 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 43.4 m -61.46 -42.58 98.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.537 -0.756 . . . . 1.04 111.319 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 33' ' ' LEU . 18.9 mt -59.96 -43.75 94.86 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 121.16 -0.216 . . . . 1.28 110.806 177.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 41.4 tt0 -60.94 -42.15 97.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.308 -0.405 . . . . 1.76 110.882 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 44' ' ' GLU . 43.8 t -64.64 -40.94 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.006 0.431 . . . . 0.48999999999999999 109.849 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HB2' ' HB2' ' B' ' 52' ' ' CYS . . . -61.25 -42.19 98.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.776 -0.647 . . . . 0.47999999999999998 110.938 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 46' ' ' LEU . 71.4 mt -54.67 -51.8 47.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.062 -0.517 . . . . 0.60999999999999999 110.73 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 8.6 mm100 -63.19 -36.7 84.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.961 -0.563 . . . . 1.8400000000000001 110.596 -178.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' B' ' 45' ' ' SER . 72.9 m -68.11 -47.2 68.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.927 -0.579 . . . . 0.68999999999999995 110.871 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.47 -40.12 96.28 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.958 0.409 . . . . 0.76000000000000001 110.305 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.54 -51.47 69.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.623 -0.717 . . . . 1.6499999999999999 110.385 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 m -68.1 -30.99 70.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.037 -0.529 . . . . 1.1599999999999999 111.08 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.66 -61.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.976 -0.556 . . . . 1.1499999999999999 111.758 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 22' ' ' ALA . 86.7 m-85 -73.64 -13.06 60.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.981 0.42 . . . . 2.0499999999999998 111.283 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.29 35.95 60.0 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.741 -0.663 . . . . 2.6000000000000001 111.555 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.32 152.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.962 0.41 . . . . 1.3500000000000001 111.276 -175.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.9 p -139.48 -169.43 2.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.694 -0.684 . . . . 2.3799999999999999 109.792 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.8 -13.37 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.528 0.68 . . . . 2.21 110.346 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.12 -23.31 67.27 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.331 0.586 . . . . 4.0099999999999998 110.346 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.83 -18.98 61.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.329 -0.619 . . . . 3.6200000000000001 109.329 177.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 10.1 t -76.94 -27.4 54.84 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.775 -0.648 . . . . 2.9100000000000001 109.514 176.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.02 -38.39 90.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.778 -0.646 . . . . 3.46 109.978 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.44 19.99 14.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.879 -0.6 . . . . 1.8700000000000001 111.361 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.97 144.19 29.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.261 0.553 . . . . 1.53 112.286 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.538 HD12 HD21 ' A' ' 72' ' ' LEU . 96.1 mt -75.56 158.87 82.75 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.481 -0.781 . . . . 1.55 110.029 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.89 -47.03 12.3 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.111 2.54 . . . . 2.7400000000000002 113.253 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -121.78 157.83 30.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.862 -0.422 . . . . 2.75 109.862 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.52 140.44 42.77 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.409 0.623 . . . . 1.55 110.32 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.598 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.9 mm? -65.63 -42.73 57.65 Favored Pre-proline 0 C--O 1.22 -0.479 0 CA-C-N 115.069 -0.969 . . . . 1.79 113.152 -175.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HG2' ' HB2' ' A' ' 28' ' ' PHE . 65.5 Cg_exo -45.97 -34.58 12.92 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.365 2.044 . . . . 1.0700000000000001 113.983 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.97 -44.92 71.95 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.84 -0.43 . . . . 2.2799999999999998 109.84 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.63 -39.09 74.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.324 0.583 . . . . 1.3799999999999999 109.713 172.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.598 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 12.8 m-30 -62.11 -32.66 73.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.396 -0.82 . . . . 2.3599999999999999 110.208 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.643 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 62.0 mt-10 -76.4 -14.93 60.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.776 0.322 . . . . 2.52 111.255 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.32 -34.66 15.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.934 0.397 . . . . 0.65000000000000002 110.768 174.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.8 -51.52 5.05 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.299 0.481 . . . . 0.98999999999999999 112.299 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.439 ' HA ' HD11 ' B' ' 72' ' ' LEU . . . -71.51 -9.58 58.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.065 0.394 . . . . 1.5600000000000001 112.065 -172.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.465 HG23 ' HB3' ' B' ' 17' ' ' ASN . 0.8 OUTLIER -73.98 -19.0 60.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.954 0.407 . . . . 2.3300000000000001 110.533 174.337 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.37 109.31 0.91 Allowed Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.846 -0.616 . . . . 2.5899999999999999 111.864 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.92 -0.77 . . . . 4.4100000000000001 108.92 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.663 0.268 . . . . 3.6800000000000002 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.59 127.49 32.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.408 -0.36 . . . . 2.4199999999999999 110.501 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.643 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 13.0 p-10 -85.01 -14.06 48.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.26 -0.427 . . . . 2.52 110.285 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -57.76 -48.84 78.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.799 -0.637 . . . . 1.8899999999999999 110.996 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -63.0 -46.59 86.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.444 . . . . 1.49 111.439 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.84 -34.77 79.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.194 0.521 . . . . 2.3399999999999999 110.622 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 tp -58.08 -51.49 69.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.363 -0.835 . . . . 0.69999999999999996 110.05 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.457 ' O ' HG13 ' B' ' 26' ' ' ILE . . . -64.08 -48.55 75.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.787 -0.642 . . . . 0.82999999999999996 110.848 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 8.1 t80 -52.58 -52.86 53.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 2.9900000000000002 112.034 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.28 83.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.831 0.348 . . . . 1.1399999999999999 111.187 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.4 mt -69.91 -39.13 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.016 -0.538 . . . . 0.96999999999999997 110.328 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 22' ' ' ALA . 49.6 mt -54.78 -55.84 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.272 -0.422 . . . . 0.78000000000000003 111.115 175.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.36 -44.76 93.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.125 -0.489 . . . . 1.5800000000000001 111.768 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.4 ' HB2' ' HG2' ' B' ' 73' ' ' PRO . 85.7 t80 -65.9 -46.11 79.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.532 -0.303 . . . . 1.98 111.091 -178.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.7 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 8.3 mp -64.23 -36.75 85.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.602 -0.272 . . . . 0.69999999999999996 110.483 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.76 -50.99 70.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.336 -0.393 . . . . 1.4099999999999999 110.625 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.81 -33.95 68.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 1.98 110.769 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -60.5 -37.68 81.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 1.9299999999999999 110.516 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' B' ' 46' ' ' LEU . 66.7 mt -66.79 -43.33 84.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 1.22 110.405 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.99 -26.93 65.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.884 -0.598 . . . . 3.5 110.955 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -89.59 -2.86 58.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.832 0.349 . . . . 2.6899999999999999 111.112 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.83 40.37 89.55 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.115 -0.564 . . . . 0.53000000000000003 112.73 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.59 -36.99 93.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.024 -0.608 . . . . 0.53000000000000003 112.536 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.91 178.21 4.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.157 -0.312 . . . . 0.82999999999999996 110.157 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -74.75 179.94 4.52 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.965 -0.383 . . . . 1.4199999999999999 109.965 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 20.9 t -63.39 -57.92 8.76 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.688 0.255 . . . . 1.6299999999999999 111.688 -173.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.31 -38.54 89.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.234 0.54 . . . . 2.21 110.618 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.31 90.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.579 -0.737 . . . . 0.54000000000000004 110.636 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.51 ' HG3' HD22 ' B' ' 33' ' ' LEU . 51.5 tt0 -60.08 -47.75 84.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.515 -0.766 . . . . 1.5700000000000001 110.332 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.405 ' O ' HG23 ' B' ' 48' ' ' VAL . 36.1 mt-10 -62.56 -41.02 98.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.635 -0.712 . . . . 2.3599999999999999 110.249 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 46.3 m -61.5 -42.63 99.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.464 -0.789 . . . . 1.04 111.266 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.741 ' HB2' HD21 ' B' ' 33' ' ' LEU . 18.7 mt -59.99 -43.64 95.03 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 121.229 -0.189 . . . . 1.28 110.748 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 41.1 tt0 -61.22 -42.05 97.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.307 -0.406 . . . . 1.75 110.821 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 44' ' ' GLU . 43.9 t -64.54 -41.07 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.025 0.441 . . . . 0.48999999999999999 109.835 176.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 52' ' ' CYS . . . -61.24 -42.14 98.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.813 -0.631 . . . . 0.47999999999999998 110.934 177.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 46' ' ' LEU . 71.5 mt -54.7 -51.86 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.62 110.688 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 8.6 mm100 -63.18 -36.57 84.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 1.8400000000000001 110.693 -177.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 45' ' ' SER . 72.1 m -68.24 -47.24 68.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.905 -0.589 . . . . 0.68999999999999995 110.84 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 0.76000000000000001 110.302 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.32 -51.55 69.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.638 -0.71 . . . . 1.6599999999999999 110.48 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.9 m -68.05 -30.99 70.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.999 -0.546 . . . . 1.1499999999999999 110.986 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . . . -69.82 -61.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.992 -0.549 . . . . 1.1399999999999999 111.751 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' B' ' 22' ' ' ALA . 86.2 m-85 -73.77 -12.79 60.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.928 0.394 . . . . 2.0600000000000001 111.239 -177.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.07 35.99 60.77 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.806 -0.634 . . . . 2.6000000000000001 111.544 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.23 152.74 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.003 0.43 . . . . 1.3500000000000001 111.228 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.2 p -139.91 -170.8 3.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.632 -0.713 . . . . 2.3799999999999999 109.692 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.68 -13.63 15.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.52 0.676 . . . . 2.21 110.471 175.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.0 -23.38 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.295 0.569 . . . . 4.0 110.407 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.8 -18.81 61.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.842 -0.617 . . . . 3.6200000000000001 109.371 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.425 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 9.5 t -77.09 -27.5 54.2 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.814 -0.63 . . . . 2.9199999999999999 109.474 175.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.84 -38.32 90.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.882 -0.599 . . . . 3.46 110.015 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.58 19.98 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.841 -0.618 . . . . 1.8700000000000001 111.481 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.01 144.05 30.15 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.107 -0.497 . . . . 1.54 112.203 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.526 HD12 HD21 ' B' ' 72' ' ' LEU . 96.1 mt -75.48 158.95 82.85 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.539 -0.755 . . . . 1.5600000000000001 110.101 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -44.91 -47.07 12.3 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.097 2.532 . . . . 2.75 113.302 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -121.82 157.92 30.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.905 -0.406 . . . . 2.7599999999999998 109.905 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.49 143.83 42.35 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.52 0.676 . . . . 1.55 109.835 176.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.613 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 2.9 mm? -68.56 -42.41 26.66 Favored Pre-proline 0 C--O 1.219 -0.552 0 CA-C-N 115.072 -0.967 . . . . 1.79 112.877 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' B' ' 28' ' ' PHE . 64.6 Cg_exo -45.85 -34.59 12.48 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.405 2.07 . . . . 1.0600000000000001 113.951 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.08 -44.96 71.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.993 0.425 . . . . 2.27 109.876 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.58 -38.98 74.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.373 0.606 . . . . 1.3700000000000001 109.715 172.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 12.9 m-30 -62.27 -32.64 73.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.462 -0.79 . . . . 2.3700000000000001 110.193 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.637 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 59.8 mt-10 -76.0 -16.53 59.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.967 0.413 . . . . 2.5099999999999998 111.15 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.2 -36.11 16.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.046 0.45 . . . . 0.64000000000000001 111.006 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.56 -52.04 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.512 0.56 . . . . 0.98999999999999999 112.512 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.427 ' HA ' HD11 ' A' ' 72' ' ' LEU . . . -70.26 -11.66 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.144 0.424 . . . . 1.55 112.144 -173.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.439 HG23 ' HB3' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -72.57 -18.9 61.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.927 0.394 . . . . 2.3300000000000001 110.84 174.571 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.3 109.57 0.93 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.91 -0.586 . . . . 2.5899999999999999 111.739 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 N-CA-C 109.002 -0.74 . . . . 4.4000000000000004 109.002 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.5 mmm . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 121.058 0.456 . . . . 3.6800000000000002 110.572 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.556 ' OD1' ' HG3' ' A' ' 19' ' ' LYS . 13.5 t70 -78.55 118.88 21.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 2.3999999999999999 110.288 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -76.18 -27.47 56.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.478 -0.328 . . . . 2.52 111.417 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -58.48 -55.63 32.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.332 -0.394 . . . . 1.8999999999999999 111.261 -174.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.556 ' HG3' ' OD1' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -71.16 -22.79 62.0 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.768 -0.373 . . . . 1.49 111.143 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 83.3 mtm180 -75.69 -34.63 60.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.956 0.408 . . . . 2.3399999999999999 110.583 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.662 ' HB2' ' CD2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -65.76 -35.41 80.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.869 -0.605 . . . . 0.69999999999999996 109.611 178.583 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.42 -61.3 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.779 -0.646 . . . . 0.82999999999999996 111.892 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 20' ' ' ARG . 7.9 p90 -64.27 -34.44 78.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.914 0.388 . . . . 2.9900000000000002 110.686 -174.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.51 98.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.784 -0.643 . . . . 1.1399999999999999 110.787 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.2 mt -67.75 -41.8 85.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.96999999999999997 110.031 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 50' ' ' ILE . 67.6 mt -54.53 -56.05 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.78000000000000003 111.719 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.44 -41.91 94.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 1.5800000000000001 111.122 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.46 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 78.8 t80 -66.19 -45.09 82.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 1.98 110.227 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 5.4 mp -65.78 -27.46 68.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.69999999999999996 111.082 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.69 -46.06 63.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.93 0.395 . . . . 1.4099999999999999 110.317 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.91 -44.93 87.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 1.98 109.967 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -61.01 -33.08 72.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.919 -1.037 . . . . 1.9199999999999999 110.995 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.3 -50.07 69.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 1.22 109.691 178.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -69.29 -25.3 64.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 3.4900000000000002 110.929 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -83.24 -3.28 57.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.975 0.417 . . . . 2.6800000000000002 111.438 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.35 39.92 98.33 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.901 -0.591 . . . . 0.53000000000000003 112.784 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.03 -46.76 93.38 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.894 -0.669 . . . . 0.52000000000000002 112.349 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 3.9 mm? -93.23 177.01 6.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.28 -0.267 . . . . 0.82999999999999996 110.28 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 t -75.69 173.71 10.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.171 -0.307 . . . . 1.4199999999999999 110.171 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -58.37 -53.01 63.14 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 111.599 0.222 . . . . 1.6299999999999999 111.599 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -64.31 -39.6 94.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.159 0.504 . . . . 2.2000000000000002 110.477 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 38' ' ' LEU . . . -64.28 -37.68 88.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.56 -0.745 . . . . 0.54000000000000004 110.781 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.519 ' O ' HD21 ' A' ' 33' ' ' LEU . 34.4 mt-30 -57.44 -59.82 4.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.928 -0.578 . . . . 1.5600000000000001 110.752 175.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -46.83 -44.49 19.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.192 -0.913 . . . . 2.3599999999999999 111.001 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -64.77 -33.71 76.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.805 -0.634 . . . . 1.04 111.257 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.486 HD12 HD23 ' A' ' 33' ' ' LEU . 27.3 mt -63.58 -46.34 86.3 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 121.155 -0.218 . . . . 1.28 110.528 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.44 -38.77 88.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 1.76 110.6 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.98 -48.55 85.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.48999999999999999 110.064 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.86 89.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.93 -0.577 . . . . 0.47999999999999998 111.066 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 26' ' ' ILE . 34.5 mt -55.0 -53.47 33.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.60999999999999999 111.132 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -64.74 -33.91 77.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 1.8400000000000001 111.133 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 79.8 m -67.87 -47.62 68.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.37 -0.377 . . . . 0.68999999999999995 110.711 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.55 -42.05 98.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.876 0.37 . . . . 0.76000000000000001 110.493 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.1 -52.23 66.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.569 -0.741 . . . . 1.6499999999999999 110.404 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 m -68.23 -34.26 75.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.746 -0.661 . . . . 1.1599999999999999 111.231 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 -55.65 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 1.1499999999999999 111.799 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.49 -4.95 48.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 2.0499999999999998 111.393 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.09 24.4 73.79 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.047 -0.597 . . . . 2.6000000000000001 112.117 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 19' ' ' LYS . 18.6 m -98.4 159.46 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.578 0.228 . . . . 1.3500000000000001 110.691 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.6 p -141.11 -170.0 2.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.176 -0.466 . . . . 2.3799999999999999 110.15 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.436 ' O ' ' HB3' ' A' ' 64' ' ' SER . 12.6 p -64.28 -20.37 26.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.266 0.555 . . . . 2.21 110.711 175.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -63.64 -37.63 88.06 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.482 0.658 . . . . 4.0099999999999998 110.125 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.443 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 7.1 m-20 -68.46 -22.0 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 3.6200000000000001 110.072 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 40.3 t -72.33 -25.44 61.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.173 -0.467 . . . . 2.9100000000000001 109.881 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.58 -37.23 79.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 3.46 110.429 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.8 pp -83.77 29.61 0.53 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.127 0.489 . . . . 1.8700000000000001 111.111 177.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -50.96 143.24 10.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.687 -0.688 . . . . 1.53 112.417 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.635 HD12 HD11 ' A' ' 72' ' ' LEU . 92.5 mt -81.35 161.72 61.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.332 -0.849 . . . . 1.55 110.496 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -47.75 -50.17 12.14 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.993 2.462 . . . . 2.7400000000000002 113.256 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -116.75 160.18 21.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.022 -0.362 . . . . 2.75 110.022 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.9 p -72.99 142.48 47.75 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.474 0.654 . . . . 1.55 109.872 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.635 HD11 HD12 ' A' ' 68' ' ' LEU . 10.8 mp -77.35 -37.17 1.62 Allowed Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.561 -0.745 . . . . 1.79 113.0 -172.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.466 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 81.5 Cg_exo -53.12 -31.27 53.93 Favored 'Trans proline' 0 C--N 1.348 0.516 0 CA-C-N 120.325 1.152 . . . . 1.0700000000000001 111.741 168.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -74.08 -35.77 64.24 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.158 -0.474 . . . . 2.2799999999999998 109.865 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.622 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 8.2 mm -53.26 -49.39 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.9 -0.591 . . . . 1.3799999999999999 109.787 169.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.672 ' CD2' ' HB2' ' B' ' 21' ' ' LEU . 0.8 OUTLIER -61.85 -46.65 88.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.404 -0.817 . . . . 2.3599999999999999 111.477 -179.705 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.48 ' O ' ' HB ' ' A' ' 81' ' ' THR . 45.4 mt-10 -61.23 -21.66 64.07 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.955 -0.298 . . . . 2.52 111.213 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.88 -64.65 1.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.4 -0.364 . . . . 0.65000000000000002 111.494 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.58 -47.03 18.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.159 0.504 . . . . 0.98999999999999999 111.875 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.461 ' HB1' ' HG ' ' B' ' 72' ' ' LEU . . . -81.66 -1.14 45.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.613 -0.721 . . . . 1.5600000000000001 112.236 -171.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 77' ' ' GLU . 6.3 t -70.28 -3.12 15.66 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.369 0.507 . . . . 2.3300000000000001 112.369 -174.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.96 51.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 119.544 -1.313 . . . . 2.5899999999999999 114.124 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.493 -0.765 . . . . 4.4100000000000001 110.464 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 85.4 mmm . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.955 0.407 . . . . 3.6800000000000002 110.455 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.566 ' OD1' ' HG3' ' B' ' 19' ' ' LYS . 13.5 t70 -78.45 119.06 21.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 2.4199999999999999 110.229 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -76.28 -27.53 56.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.534 -0.303 . . . . 2.52 111.374 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -58.56 -55.68 31.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.406 -0.361 . . . . 1.8899999999999999 111.267 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.566 ' HG3' ' OD1' ' B' ' 16' ' ' ASP . 0.1 OUTLIER -70.86 -23.05 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.706 -0.398 . . . . 1.49 111.175 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' B' ' 23' ' ' TYR . 83.3 mtm180 -75.55 -34.65 60.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.408 . . . . 2.3399999999999999 110.554 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.672 ' HB2' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -65.75 -35.32 80.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.905 -0.589 . . . . 0.69999999999999996 109.638 178.603 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.46 -61.3 2.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.74 -0.663 . . . . 0.82999999999999996 111.927 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.533 ' CE2' ' HA ' ' B' ' 20' ' ' ARG . 8.0 p90 -64.2 -34.49 78.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.986 0.422 . . . . 2.9900000000000002 110.709 -174.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.64 98.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.722 -0.672 . . . . 1.1399999999999999 110.845 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.0 mt -67.69 -41.83 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.96999999999999997 110.006 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.617 HG23 HG23 ' B' ' 50' ' ' ILE . 67.2 mt -54.56 -55.86 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.78000000000000003 111.718 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -60.72 -41.75 95.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 1.5800000000000001 111.116 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.468 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 79.0 t80 -66.15 -45.07 82.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.125 -0.489 . . . . 1.98 110.294 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 5.4 mp -65.77 -27.5 68.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.69999999999999996 111.167 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -70.81 -46.08 63.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.88 0.371 . . . . 1.4099999999999999 110.175 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.85 -44.77 88.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.504 0.669 . . . . 1.98 110.074 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -61.11 -33.06 72.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.948 -1.024 . . . . 1.9299999999999999 111.001 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.4 OUTLIER -64.33 -49.9 69.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.82 -0.627 . . . . 1.22 109.692 178.858 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -69.26 -25.67 64.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 3.5 110.803 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -83.01 -3.3 57.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.886 0.374 . . . . 2.6899999999999999 111.409 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.56 39.71 97.92 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.53000000000000003 112.731 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.08 -46.56 93.77 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.895 -0.669 . . . . 0.53000000000000003 112.272 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' B' ' 42' ' ' ALA . 3.8 mm? -93.48 177.17 6.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.258 -0.275 . . . . 0.82999999999999996 110.258 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.6 t -75.82 173.71 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.098 -0.334 . . . . 1.4199999999999999 110.098 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -58.69 -52.71 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.622 0.248 . . . . 1.6299999999999999 111.588 -173.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.35 -39.5 94.01 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.184 0.516 . . . . 2.21 110.576 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' B' ' 38' ' ' LEU . . . -64.23 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 0.54000000000000004 110.769 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.517 ' O ' HD21 ' B' ' 33' ' ' LEU . 34.5 mt-30 -57.36 -59.79 4.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 1.5700000000000001 110.788 175.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -46.93 -44.41 19.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.287 -0.869 . . . . 2.3599999999999999 110.981 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.0 t -64.87 -33.65 76.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.799 -0.637 . . . . 1.04 111.239 -178.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.5 HD12 HD23 ' B' ' 33' ' ' LEU . 27.6 mt -63.59 -46.22 86.83 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 121.155 -0.218 . . . . 1.28 110.603 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.63 -38.48 87.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.951 0.405 . . . . 1.75 110.634 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 51.3 t -64.15 -48.6 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.48999999999999999 110.085 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.69 -38.93 89.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.869 -0.605 . . . . 0.47999999999999998 111.171 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.617 HG23 HG23 ' B' ' 26' ' ' ILE . 34.8 mt -55.0 -53.25 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 0.62 111.187 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -65.07 -33.77 76.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.445 -0.343 . . . . 1.8400000000000001 111.081 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -67.9 -47.72 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.404 -0.362 . . . . 0.68999999999999995 110.698 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.39 -42.08 98.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.76000000000000001 110.443 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.06 -52.24 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 1.6599999999999999 110.338 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 9.4 m -68.42 -34.05 75.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.772 -0.649 . . . . 1.1499999999999999 111.211 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.93 17.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 1.1399999999999999 111.641 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.21 -5.13 48.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.899 0.38 . . . . 2.0600000000000001 111.505 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.02 24.69 73.23 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.987 -0.625 . . . . 2.6000000000000001 112.078 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' B' ' 19' ' ' LYS . 18.8 m -98.69 159.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.695 0.283 . . . . 1.3500000000000001 110.779 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 38.2 p -141.14 -171.12 3.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.127 -0.488 . . . . 2.3799999999999999 110.013 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' B' ' 64' ' ' SER . 12.4 p -63.54 -20.49 26.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.147 0.498 . . . . 2.21 110.667 175.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -63.46 -37.85 88.88 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.538 0.685 . . . . 4.0 110.162 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.455 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 7.0 m-20 -68.27 -22.07 64.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.672 -0.695 . . . . 3.6200000000000001 110.114 177.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' B' ' 61' ' ' VAL . 38.9 t -72.27 -25.39 61.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.082 -0.508 . . . . 2.9199999999999999 109.871 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -68.59 -37.08 79.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 3.46 110.402 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.8 pp -83.23 27.63 0.56 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.037 0.446 . . . . 1.8700000000000001 111.298 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.454 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -49.73 143.1 7.71 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.728 -0.669 . . . . 1.54 112.604 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.649 HD12 HD11 ' B' ' 72' ' ' LEU . 92.6 mt -81.38 161.65 61.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.523 -0.762 . . . . 1.5600000000000001 110.55 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -47.86 -49.67 13.25 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.977 2.451 . . . . 2.75 113.331 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -117.0 160.22 21.29 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.851 -0.426 . . . . 2.7599999999999998 109.851 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 32.9 p -73.04 144.78 47.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.39 0.614 . . . . 1.55 109.505 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.649 HD11 HD12 ' B' ' 68' ' ' LEU . 10.9 mp -79.2 -37.12 1.19 Allowed Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.547 -0.751 . . . . 1.79 112.902 -172.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.468 ' HG2' ' CB ' ' B' ' 28' ' ' PHE . 81.8 Cg_exo -53.14 -31.36 54.51 Favored 'Trans proline' 0 C--N 1.347 0.481 0 CA-C-N 120.167 1.095 . . . . 1.0600000000000001 111.613 168.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.92 -35.84 64.64 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.195 -0.457 . . . . 2.27 109.81 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.635 ' HB ' ' O ' ' B' ' 72' ' ' LEU . 8.2 mm -53.25 -49.29 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.916 -0.584 . . . . 1.3700000000000001 109.799 169.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.662 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -61.92 -46.75 87.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.293 -0.867 . . . . 2.3700000000000001 111.518 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.491 ' O ' ' HB ' ' B' ' 81' ' ' THR . 45.2 mt-10 -60.9 -22.91 64.8 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.91 -0.316 . . . . 2.5099999999999998 111.012 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.23 -64.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.945 0.403 . . . . 0.64000000000000001 111.846 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.76 -47.46 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.421 0.629 . . . . 0.98999999999999999 111.934 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.454 ' HB1' ' HG ' ' A' ' 72' ' ' LEU . . . -78.08 -7.65 57.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.213 -0.903 . . . . 1.55 112.217 -172.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' B' ' 77' ' ' GLU . 6.2 t -67.48 -2.23 6.13 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.548 0.573 . . . . 2.3300000000000001 112.548 -172.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.78 51.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 119.541 -1.314 . . . . 2.5899999999999999 113.985 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.372 -0.823 . . . . 4.4000000000000004 110.406 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.081 -0.341 . . . . 3.6800000000000002 110.081 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -73.93 115.67 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.407 -0.36 . . . . 2.3999999999999999 110.308 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -81.78 -6.35 58.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.959 0.409 . . . . 2.52 109.909 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -62.72 -46.46 88.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 1.8999999999999999 110.767 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 20' ' ' ARG . 12.9 ptpt -65.96 -34.64 78.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 1.49 110.418 178.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.613 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 95.5 mtt180 -71.18 -37.24 72.18 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.602 -0.726 . . . . 2.3399999999999999 109.791 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' B' ' 76' ' ' PHE . 8.7 tp -55.83 -47.52 77.08 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.958 -1.019 . . . . 0.69999999999999996 110.121 172.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.1 -60.23 3.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.876 -0.602 . . . . 0.82999999999999996 112.51 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.613 ' CD2' ' HA ' ' A' ' 20' ' ' ARG . 1.8 p90 -64.07 -37.96 89.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.762 0.315 . . . . 2.9900000000000002 110.966 -172.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 1.1399999999999999 110.657 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.424 HG23 HD13 ' A' ' 29' ' ' LEU . 23.4 mt -64.2 -43.97 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.96999999999999997 109.879 173.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.12 -46.35 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.78000000000000003 111.028 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 27.1 mm-40 -56.35 -52.07 65.94 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.898 0.38 . . . . 1.5800000000000001 110.903 -178.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.44 -47.86 58.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.977 -0.556 . . . . 1.98 111.298 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.55 HD23 HD11 ' A' ' 46' ' ' LEU . 8.8 mp -65.21 -28.79 69.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.761 0.282 . . . . 0.69999999999999996 111.761 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -67.09 -43.59 82.18 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.945 -0.391 . . . . 1.4099999999999999 109.945 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.72 -45.59 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 1.98 109.91 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.418 ' HG2' ' HA3' ' A' ' 37' ' ' GLY . 0.8 OUTLIER -59.45 -38.55 81.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.306 -0.861 . . . . 1.9199999999999999 111.054 178.008 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.31 -45.99 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.625 -0.509 . . . . 1.22 109.625 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -68.59 -34.95 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.784 -0.644 . . . . 3.4900000000000002 110.559 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -73.28 -35.81 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.657 -0.702 . . . . 2.6800000000000002 111.458 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.77 43.69 2.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.918 -0.658 . . . . 0.53000000000000003 112.214 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' HA3' ' HG2' ' A' ' 32' ' ' GLN . . . -65.18 -65.66 2.82 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.004 -0.617 . . . . 0.52000000000000002 112.855 -177.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.88 -174.78 5.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.7 0.286 . . . . 0.82999999999999996 111.191 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.8 m -77.24 177.87 7.55 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.89 0.329 . . . . 1.4199999999999999 111.89 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 p -59.6 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.6299999999999999 112.047 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.49 -32.67 72.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.296 0.57 . . . . 2.2000000000000002 110.683 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.86 65.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.455 -0.793 . . . . 0.54000000000000004 110.707 177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -52.37 -60.26 3.44 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.266 0.626 . . . . 1.5600000000000001 112.621 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.5 pt-20 -53.51 -44.52 69.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.845 0.313 . . . . 2.3599999999999999 111.845 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.6 m -65.71 -34.72 78.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.579 0.705 . . . . 1.04 110.151 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.55 HD11 HD23 ' A' ' 29' ' ' LEU . 21.8 tp -70.23 -35.41 73.82 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.069 -0.968 . . . . 1.28 110.763 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.13 -39.02 92.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.116 0.484 . . . . 1.76 109.802 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 44' ' ' GLU . 54.5 t -62.75 -42.53 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.65 . . . . 0.48999999999999999 109.725 175.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' B' ' 52' ' ' CYS . . . -56.78 -40.71 76.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.743 -0.662 . . . . 0.47999999999999998 111.252 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 46' ' ' LEU . 70.7 mt -55.48 -52.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.60999999999999999 110.922 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.82 -27.73 65.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 1.8400000000000001 111.461 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.433 ' CB ' ' HB2' ' B' ' 49' ' ' ALA . 70.7 m -70.79 -45.74 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.017 -0.273 . . . . 0.68999999999999995 110.471 177.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.27 -41.94 99.06 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.663 -0.495 . . . . 0.76000000000000001 109.663 175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -50.07 -56.07 12.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.756 -1.111 . . . . 1.6499999999999999 110.615 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.0 m -69.55 -35.26 75.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.436 -0.802 . . . . 1.1599999999999999 111.527 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.0 -56.61 13.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 1.1499999999999999 112.059 -176.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -80.13 -5.51 56.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.892 0.377 . . . . 2.0499999999999998 111.192 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.49 32.86 71.65 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.036 -0.602 . . . . 2.6000000000000001 111.752 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -104.6 148.4 9.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.028 0.442 . . . . 1.3500000000000001 111.021 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.0 p -137.94 -168.45 2.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.634 -0.712 . . . . 2.3799999999999999 110.251 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.02 -21.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.988 0.423 . . . . 2.21 110.473 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -63.82 -42.56 97.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.56 0.695 . . . . 4.0099999999999998 109.711 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -73.32 -15.27 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.604 -0.725 . . . . 3.6200000000000001 110.148 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 15.7 m -86.9 -11.95 49.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.707 -0.679 . . . . 2.9100000000000001 109.842 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 67' ' ' ALA . 27.2 t70 -81.7 -32.08 31.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 3.46 110.282 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -80.15 28.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.2 0.524 . . . . 1.8700000000000001 110.533 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -49.83 133.29 22.06 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.102 -0.954 . . . . 1.53 112.58 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.9 mt -73.37 158.53 86.52 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 114.726 -1.124 . . . . 1.55 110.125 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -40.55 -46.84 4.55 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.47 2.78 . . . . 2.7400000000000002 113.596 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -128.76 153.34 47.47 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.698 -0.482 . . . . 2.75 109.698 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.85 139.97 57.78 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.576 0.703 . . . . 1.55 110.911 177.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.829 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 37.3 mt -71.74 -35.13 3.46 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 113.994 1.109 . . . . 1.79 113.994 -170.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -50.49 -30.58 28.1 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.497 1.464 . . . . 1.0700000000000001 112.731 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.26 -38.86 63.32 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.725 0.298 . . . . 2.2799999999999998 110.345 176.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 20.8 mm -54.19 -48.09 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 121.286 0.565 . . . . 1.3799999999999999 109.915 173.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.823 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 0.4 OUTLIER -63.63 -40.09 96.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.337 -0.847 . . . . 2.3599999999999999 111.276 179.008 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.35 -29.99 70.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.267 0.555 . . . . 2.52 110.346 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.26 -52.44 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 0.65000000000000002 111.891 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.82 -44.19 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.681 0.623 . . . . 0.98999999999999999 112.681 -170.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.91 -9.76 59.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.302 0.482 . . . . 1.5600000000000001 112.302 -169.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -72.13 2.2 6.23 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.394 0.516 . . . . 2.3300000000000001 112.394 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.16 156.25 9.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.899 -0.667 . . . . 2.5899999999999999 112.358 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.778 -0.629 . . . . 4.4100000000000001 111.636 179.509 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.916 -0.402 . . . . 3.6800000000000002 109.916 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -73.86 115.82 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.318 -0.401 . . . . 2.4199999999999999 110.369 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -81.76 -6.55 59.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.093 0.473 . . . . 2.52 109.934 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -62.66 -46.56 87.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 1.8899999999999999 110.785 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' B' ' 20' ' ' ARG . 12.9 ptpt -65.87 -34.74 78.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.069 0.462 . . . . 1.49 110.339 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.606 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . 95.5 mtt180 -71.05 -37.34 72.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.683 -0.69 . . . . 2.3399999999999999 109.891 -178.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 76' ' ' PHE . 8.8 tp -55.68 -47.56 76.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.928 -1.033 . . . . 0.69999999999999996 110.143 172.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.2 -60.14 4.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.911 -0.586 . . . . 0.82999999999999996 112.53 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.606 ' CD2' ' HA ' ' B' ' 20' ' ' ARG . 1.9 p90 -64.11 -37.88 89.06 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.862 -0.335 . . . . 2.9900000000000002 110.936 -172.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.96 0.41 . . . . 1.1399999999999999 110.621 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.441 HG23 HD13 ' B' ' 29' ' ' LEU . 23.0 mt -64.24 -43.93 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.819 -0.628 . . . . 0.96999999999999997 109.857 173.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.13 -46.23 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.78000000000000003 111.085 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 27.8 mm-40 -56.41 -51.98 66.33 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.901 0.381 . . . . 1.5800000000000001 110.96 -178.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -70.48 -47.86 58.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.945 -0.57 . . . . 1.98 111.326 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.544 HD23 HD11 ' B' ' 46' ' ' LEU . 8.8 mp -65.36 -28.64 69.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.765 0.283 . . . . 0.69999999999999996 111.765 -176.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -67.16 -43.75 81.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.891 -0.411 . . . . 1.4099999999999999 109.891 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.73 -45.36 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 1.98 109.82 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.41 ' HG2' ' HA3' ' B' ' 37' ' ' GLY . 0.8 OUTLIER -59.62 -38.47 81.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.386 -0.825 . . . . 1.9299999999999999 111.06 177.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -63.37 -46.05 88.29 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.668 -0.493 . . . . 1.22 109.668 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -68.52 -35.25 77.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.68 . . . . 3.5 110.391 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -73.05 -35.93 66.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.84 -0.618 . . . . 2.6899999999999999 111.416 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.28 42.81 2.69 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.836 -0.697 . . . . 0.53000000000000003 112.258 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.41 ' HA3' ' HG2' ' B' ' 32' ' ' GLN . . . -64.72 -65.47 2.95 Favored Glycine 0 C--O 1.235 0.172 0 C-N-CA 121.009 -0.615 . . . . 0.53000000000000003 112.986 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 38' ' ' LEU . 4.2 mm? -81.95 -174.91 5.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.688 0.28 . . . . 0.82999999999999996 111.157 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 32.2 m -77.1 177.92 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.458 -0.337 . . . . 1.4199999999999999 111.891 -177.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.0 p -60.0 -63.66 1.22 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.322 -0.399 . . . . 1.6299999999999999 112.052 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.75 -32.83 73.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.189 0.519 . . . . 2.21 110.604 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.1 64.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.496 -0.774 . . . . 0.54000000000000004 110.827 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -52.21 -60.22 3.46 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 112.716 0.635 . . . . 1.5700000000000001 112.716 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 48' ' ' VAL . 9.5 pt-20 -53.61 -44.52 69.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.58 -0.282 . . . . 2.3599999999999999 111.728 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -65.76 -34.68 78.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.532 0.682 . . . . 1.04 110.092 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.544 HD11 HD23 ' B' ' 29' ' ' LEU . 22.0 tp -70.25 -35.45 73.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.143 -0.935 . . . . 1.28 110.658 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.09 -38.98 92.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.116 0.484 . . . . 1.75 109.806 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 44' ' ' GLU . 54.3 t -62.8 -42.47 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.797 -0.638 . . . . 0.48999999999999999 109.643 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' A' ' 52' ' ' CYS . . . -56.91 -40.64 76.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.761 -0.654 . . . . 0.47999999999999998 111.208 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.49 HG13 ' O ' ' B' ' 46' ' ' LEU . 70.8 mt -55.36 -52.86 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.62 110.993 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.75 -27.76 65.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 1.8400000000000001 111.577 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.423 ' CB ' ' HB2' ' A' ' 49' ' ' ALA . 70.9 m -70.76 -45.7 64.28 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.007 -0.277 . . . . 0.68999999999999995 110.509 177.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.32 -41.97 98.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.16 0.505 . . . . 0.76000000000000001 109.668 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -49.9 -56.02 12.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.762 -1.108 . . . . 1.6599999999999999 110.746 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 27.5 m -69.89 -34.73 73.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.32 -0.855 . . . . 1.1499999999999999 111.627 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.28 -56.6 13.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 1.1399999999999999 112.059 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -80.25 -5.44 56.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.81 0.338 . . . . 2.0600000000000001 111.183 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.73 32.52 70.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.902 -0.666 . . . . 2.6000000000000001 111.834 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -104.64 148.44 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.99 0.424 . . . . 1.3500000000000001 111.021 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 30.2 p -138.26 -170.26 2.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.532 -0.758 . . . . 2.3799999999999999 110.219 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.3 p -60.67 -21.12 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.931 0.396 . . . . 2.21 110.511 175.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -63.76 -42.47 97.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.524 0.678 . . . . 4.0 109.883 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -73.47 -15.23 61.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.585 -0.734 . . . . 3.6200000000000001 110.112 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 15.4 m -86.5 -12.68 48.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.708 -0.678 . . . . 2.9199999999999999 109.859 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' ALA . 27.3 t70 -81.17 -32.42 33.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.966 -0.561 . . . . 3.46 110.262 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.5 27.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.184 0.516 . . . . 1.8700000000000001 110.691 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.481 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -48.78 133.12 17.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.015 -0.993 . . . . 1.54 112.679 -176.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 63.4 mt -73.32 158.52 86.6 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 114.832 -1.076 . . . . 1.5600000000000001 110.042 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -40.64 -46.66 4.65 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.606 2.871 . . . . 2.75 113.699 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -128.61 154.47 46.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.604 -0.517 . . . . 2.7599999999999998 109.604 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.83 143.55 54.54 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.66 0.743 . . . . 1.55 110.128 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.823 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 37.1 mt -74.3 -35.01 2.11 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 114.95 -1.023 . . . . 1.79 113.654 -170.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -50.46 -30.56 27.81 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.47 1.447 . . . . 1.0600000000000001 112.746 171.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.31 -38.75 63.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.657 0.265 . . . . 2.27 110.375 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' B' ' 72' ' ' LEU . 20.8 mm -54.37 -48.02 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 121.273 0.558 . . . . 1.3700000000000001 109.912 173.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.829 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -63.62 -40.16 96.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.329 -0.851 . . . . 2.3700000000000001 111.211 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.36 -30.34 70.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.24 0.543 . . . . 2.5099999999999998 110.237 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.65 -52.47 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.835 -0.62 . . . . 0.64000000000000001 112.064 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.83 -44.51 10.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.812 0.671 . . . . 0.98999999999999999 112.812 -170.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.86 -11.67 60.91 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.325 0.491 . . . . 1.55 112.325 -169.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -70.71 1.8 4.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.625 0.602 . . . . 2.3300000000000001 112.625 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.38 156.08 9.64 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.777 -0.725 . . . . 2.5899999999999999 112.443 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.822 -0.609 . . . . 4.4000000000000004 111.717 179.553 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 47.3 ttp . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.278 -0.267 . . . . 3.6800000000000002 110.278 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -105.23 130.48 53.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.067 0.46 . . . . 2.3999999999999999 111.381 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.549 HD21 ' HB3' ' B' ' 76' ' ' PHE . 2.4 t-20 -82.34 -41.98 19.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.358 -0.837 . . . . 2.52 111.077 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -62.38 -48.1 81.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.975 -0.557 . . . . 1.8999999999999999 111.812 -172.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -68.89 -28.22 66.49 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.786 -0.366 . . . . 1.49 111.313 -179.042 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.523 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 95.8 mtt180 -75.73 -36.22 59.99 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.761 -0.375 . . . . 2.3399999999999999 110.137 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.92 -45.17 91.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.58 -0.737 . . . . 0.69999999999999996 110.601 175.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -57.6 -65.96 0.55 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.82999999999999996 112.664 -176.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.561 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 3.2 p90 -62.95 -33.34 75.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 2.9900000000000002 110.626 -172.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB1' ' CG ' ' A' ' 72' ' ' LEU . . . -61.86 -42.47 99.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.662 -0.699 . . . . 1.1399999999999999 111.194 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 55.5 mt -68.56 -36.25 73.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.839 -0.619 . . . . 0.96999999999999997 109.923 175.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 23' ' ' TYR . 65.9 mt -58.82 -38.79 74.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.324 -0.398 . . . . 0.78000000000000003 110.193 174.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 14.5 mm100 -54.51 -52.09 63.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.349 0.595 . . . . 1.5800000000000001 110.638 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.489 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 66.2 t80 -69.22 -48.15 62.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.358 -0.837 . . . . 1.98 110.567 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.563 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 8.6 mp -61.16 -30.75 70.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.69999999999999996 111.753 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -59.92 -57.74 11.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.111 0.482 . . . . 1.4099999999999999 110.71 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -34.69 71.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.938 -0.574 . . . . 1.98 110.652 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -64.37 -32.87 74.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.768 -0.651 . . . . 1.9199999999999999 110.467 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -62.51 -54.15 44.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.622 -0.717 . . . . 1.22 109.599 178.664 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.502 -0.772 . . . . 3.4900000000000002 111.017 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -83.39 -15.17 50.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 2.6800000000000002 111.021 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.77 42.89 15.89 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.113 -0.565 . . . . 0.53000000000000003 112.42 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.5 -44.48 96.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.062 -0.59 . . . . 0.52000000000000002 112.988 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.42 HD23 HD11 ' A' ' 46' ' ' LEU . 4.3 mm? -100.04 -176.08 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.571 0.224 . . . . 0.82999999999999996 110.818 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -73.62 -176.84 2.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.378 -0.373 . . . . 1.4199999999999999 110.895 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 p -62.92 -60.92 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.001 0.371 . . . . 1.6299999999999999 112.001 -175.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.32 -37.56 85.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.291 0.567 . . . . 2.2000000000000002 110.444 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -60.99 -39.17 88.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.287 -0.869 . . . . 0.54000000000000004 110.929 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.541 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.9 tt0 -59.47 -53.6 56.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.713 -0.676 . . . . 1.5600000000000001 110.316 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -56.99 -34.22 67.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.024 -0.535 . . . . 2.3599999999999999 110.732 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -70.07 -27.46 64.64 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.698 -0.683 . . . . 1.04 111.232 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.601 ' HB2' HD23 ' A' ' 33' ' ' LEU . 55.7 mt -62.94 -49.46 74.66 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.774 -0.454 . . . . 1.28 109.774 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.63 -42.4 83.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 1.76 110.751 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.0 -48.89 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.48999999999999999 110.2 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.94 80.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.806 -0.634 . . . . 0.47999999999999998 111.367 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 46' ' ' LEU . 63.5 mt -55.57 -52.52 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.60999999999999999 110.525 176.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -64.9 -35.73 82.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 1.8400000000000001 110.57 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.1 m -66.02 -51.69 56.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.68999999999999995 110.973 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.458 HD11 HD11 ' B' ' 53' ' ' LEU . 28.6 mt -67.71 -35.73 79.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.392 0.139 . . . . 0.76000000000000001 111.209 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 28.4 tt0 -56.96 -50.45 72.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.186 0.517 . . . . 1.6499999999999999 109.684 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.7 m -72.11 -28.21 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.445 -0.798 . . . . 1.1599999999999999 111.249 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.55 ' HB1' HD23 ' B' ' 46' ' ' LEU . . . -74.54 -56.05 5.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.168 -0.469 . . . . 1.1499999999999999 112.015 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 46.6 m-85 -73.81 -12.61 60.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.955 0.407 . . . . 2.0499999999999998 111.033 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.14 34.99 31.56 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.815 -0.63 . . . . 2.6000000000000001 111.91 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.447 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 27.7 m -107.51 163.06 5.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.676 0.274 . . . . 1.3500000000000001 110.479 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.0 p -142.58 -172.48 3.64 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.007 -0.542 . . . . 2.3799999999999999 110.317 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 64' ' ' SER . 14.4 p -67.83 -18.68 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.214 0.531 . . . . 2.21 110.34 174.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.65 -39.4 80.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 4.0099999999999998 109.739 173.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -71.41 -20.02 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.585 -0.734 . . . . 3.6200000000000001 109.529 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 38.7 t -76.02 -23.55 55.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.319 -0.855 . . . . 2.9100000000000001 110.034 173.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.39 -34.85 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 3.46 110.733 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp -82.08 26.92 0.5 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.362 -0.381 . . . . 1.8700000000000001 111.364 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -52.19 133.19 34.02 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.986 0.735 . . . . 1.53 112.986 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.446 HD12 HD11 ' A' ' 72' ' ' LEU . 86.2 mt -67.39 145.37 98.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.359 -0.837 . . . . 1.55 110.333 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.22 -49.8 15.77 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.156 2.571 . . . . 2.7400000000000002 112.528 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -75.56 141.29 42.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.348 -0.842 . . . . 2.75 110.24 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.568 ' O ' HG12 ' A' ' 75' ' ' ILE . 2.3 p -76.36 135.09 39.51 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.541 -0.54 . . . . 1.55 109.541 174.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD11 HD12 ' A' ' 68' ' ' LEU . 3.8 mm? -81.36 -50.1 0.95 Allowed Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 113.562 0.949 . . . . 1.79 113.562 -165.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.555 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 68.5 Cg_exo -57.08 -28.91 81.08 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.046 1.164 . . . . 1.0700000000000001 111.955 172.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.75 -45.4 64.88 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.966 0.412 . . . . 2.2799999999999998 110.223 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 71' ' ' THR . 23.6 mm -58.34 -38.24 68.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.564 0.697 . . . . 1.3799999999999999 109.759 173.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.534 ' HB3' HD21 ' B' ' 17' ' ' ASN . 2.2 t80 -63.97 -31.35 72.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.046 -0.979 . . . . 2.3599999999999999 110.24 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 43.3 mt-10 -67.58 -42.86 81.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.095 0.474 . . . . 2.52 110.557 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.02 -51.64 15.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.073 -0.512 . . . . 0.65000000000000002 111.844 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.79 -64.23 1.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 0.98999999999999999 111.703 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.68 69.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.707 -0.678 . . . . 1.5600000000000001 111.922 -171.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 77' ' ' GLU . 3.7 m -95.75 -8.67 33.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.329 0.585 . . . . 2.3300000000000001 110.617 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.14 -36.27 6.03 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.877 -0.677 . . . . 2.5899999999999999 112.312 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HB3' HE22 ' B' ' 70' ' ' GLN . 28.8 tptp . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.384 -0.817 . . . . 4.4100000000000001 110.015 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.714 0.292 . . . . 3.6800000000000002 110.404 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -105.08 130.63 53.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.13 0.491 . . . . 2.4199999999999999 111.307 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.534 HD21 ' HB3' ' A' ' 76' ' ' PHE . 2.4 t-20 -82.52 -42.17 18.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.319 -0.855 . . . . 2.52 110.902 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' B' ' 18' ' ' LYS . 13.5 mptt -62.25 -48.1 81.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 1.8899999999999999 111.753 -172.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.523 ' HD3' ' N ' ' B' ' 20' ' ' ARG . 0.1 OUTLIER -68.94 -28.23 66.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.703 -0.399 . . . . 1.49 111.329 -178.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.523 ' N ' ' HD3' ' B' ' 19' ' ' LYS . 95.8 mtt180 -75.63 -36.32 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 2.3399999999999999 110.14 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.81 -45.21 90.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.587 -0.733 . . . . 0.69999999999999996 110.628 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.574 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -57.59 -66.05 0.53 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.82999999999999996 112.615 -176.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.567 ' OH ' ' HA ' ' B' ' 67' ' ' ALA . 3.2 p90 -62.84 -33.41 75.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 2.9900000000000002 110.623 -172.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.424 ' HB1' ' CG ' ' B' ' 72' ' ' LEU . . . -61.76 -42.61 99.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.575 -0.739 . . . . 1.1399999999999999 111.118 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 55.8 mt -68.56 -36.21 73.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.887 -0.597 . . . . 0.96999999999999997 109.935 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' B' ' 23' ' ' TYR . 65.8 mt -58.85 -38.84 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.307 -0.406 . . . . 0.78000000000000003 110.208 174.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 14.5 mm100 -54.32 -52.3 61.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.338 0.589 . . . . 1.5800000000000001 110.667 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.478 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 66.1 t80 -69.21 -47.99 63.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.314 -0.857 . . . . 1.98 110.605 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.549 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 8.6 mp -61.18 -30.79 70.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 0.69999999999999996 111.754 -178.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -59.86 -57.68 11.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.1 0.476 . . . . 1.4099999999999999 110.724 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -34.89 71.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.94 -0.573 . . . . 1.98 110.63 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -64.07 -33.02 74.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.725 -0.67 . . . . 1.9299999999999999 110.466 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' B' ' 46' ' ' LEU . 0.6 OUTLIER -62.5 -53.89 48.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.654 -0.703 . . . . 1.22 109.606 178.839 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -69.47 -25.65 64.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.479 -0.782 . . . . 3.5 110.909 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -83.81 -14.82 50.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.867 0.365 . . . . 2.6899999999999999 111.099 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.82 42.29 17.13 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.971 -0.633 . . . . 0.53000000000000003 112.449 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.97 -44.97 96.6 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.96 -0.638 . . . . 0.53000000000000003 113.015 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.416 HD23 HD11 ' B' ' 46' ' ' LEU . 4.3 mm? -99.57 -176.08 3.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.613 0.244 . . . . 0.82999999999999996 110.84 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -73.58 -177.02 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 1.4199999999999999 110.799 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.0 p -62.64 -61.19 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.045 0.387 . . . . 1.6299999999999999 112.045 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -66.04 -37.6 86.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.27 0.557 . . . . 2.21 110.478 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -61.03 -39.05 88.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.385 -0.825 . . . . 0.54000000000000004 110.97 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.551 ' O ' HD21 ' B' ' 33' ' ' LEU . 8.9 tt0 -59.54 -53.69 55.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.657 -0.701 . . . . 1.5700000000000001 110.299 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -56.93 -34.03 67.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 2.3599999999999999 110.785 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -70.42 -27.31 64.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.706 -0.679 . . . . 1.04 111.155 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.582 ' HB2' HD23 ' B' ' 33' ' ' LEU . 56.3 mt -62.93 -49.57 74.25 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.847 -0.427 . . . . 1.28 109.847 176.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.73 -42.28 83.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.791 -0.64 . . . . 1.75 110.818 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.01 -48.84 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.48999999999999999 110.216 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.92 80.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.636 . . . . 0.47999999999999998 111.386 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.444 HG13 ' O ' ' B' ' 46' ' ' LEU . 63.5 mt -55.64 -52.42 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.62 110.565 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -64.87 -36.04 83.06 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.163 -0.471 . . . . 1.8400000000000001 110.426 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 83.3 m -65.76 -51.83 55.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.68999999999999995 110.984 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.458 HD11 HD11 ' A' ' 53' ' ' LEU . 29.0 mt -67.62 -35.65 79.33 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.348 -0.141 . . . . 0.76000000000000001 111.248 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 28.7 tt0 -56.98 -50.46 72.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.267 0.555 . . . . 1.6599999999999999 109.682 177.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.9 m -72.18 -28.2 63.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.413 -0.812 . . . . 1.1499999999999999 111.263 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.546 ' HB1' HD23 ' A' ' 46' ' ' LEU . . . -74.66 -56.02 5.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 1.1399999999999999 111.972 -176.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 47.3 m-85 -73.68 -12.77 60.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.846 0.355 . . . . 2.0600000000000001 111.085 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.17 35.19 30.95 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.993 -0.622 . . . . 2.6000000000000001 111.909 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 28.2 m -107.7 162.41 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.747 0.308 . . . . 1.3500000000000001 110.368 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -141.68 -172.28 3.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.784 -0.644 . . . . 2.3799999999999999 110.424 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' B' ' 64' ' ' SER . 14.3 p -68.05 -18.44 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.27 0.557 . . . . 2.21 110.317 174.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.71 -39.39 80.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 4.0 109.761 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.28 -20.06 62.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.538 -0.755 . . . . 3.6200000000000001 109.657 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.488 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 38.4 t -76.01 -23.38 55.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.387 -0.824 . . . . 2.9199999999999999 110.074 173.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.64 -34.73 67.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 3.46 110.775 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -81.83 26.34 0.51 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.311 -0.404 . . . . 1.8700000000000001 111.45 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.567 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -51.85 133.01 32.29 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.012 0.745 . . . . 1.54 113.012 -176.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.45 HD12 HD11 ' B' ' 72' ' ' LEU . 86.0 mt -67.28 145.46 98.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.22 -0.9 . . . . 1.5600000000000001 110.29 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.57 -49.33 17.22 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 123.06 2.507 . . . . 2.75 112.667 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLN . . . . . 0.476 HE22 ' HB3' ' A' ' 83' ' ' LYS . 22.1 pt20 -75.92 141.75 42.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.359 -0.837 . . . . 2.7599999999999998 110.108 -177.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.615 ' O ' HG12 ' B' ' 75' ' ' ILE . 1.6 p -76.92 140.36 40.49 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.553 -0.906 . . . . 1.55 108.553 175.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.458 ' HB2' ' HD3' ' B' ' 73' ' ' PRO . 3.8 mm? -84.03 -50.76 0.62 Allowed Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 113.578 0.955 . . . . 1.79 113.578 -166.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.551 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 69.9 Cg_exo -56.98 -28.84 80.19 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 121.194 1.263 . . . . 1.0600000000000001 111.862 173.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.96 -45.27 64.41 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.886 0.374 . . . . 2.27 110.292 176.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.615 HG12 ' O ' ' B' ' 71' ' ' THR . 23.6 mm -58.28 -38.34 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 1.3700000000000001 109.884 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.549 ' HB3' HD21 ' A' ' 17' ' ' ASN . 2.2 t80 -63.91 -31.33 72.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.025 -0.988 . . . . 2.3700000000000001 110.257 178.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.554 ' O ' ' HB ' ' B' ' 81' ' ' THR . 43.7 mt-10 -67.49 -42.95 82.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.017 0.436 . . . . 2.5099999999999998 110.54 176.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.01 -51.72 15.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 0.64000000000000001 111.664 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.35 -62.52 1.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.097 0.475 . . . . 0.98999999999999999 111.905 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.69 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.852 -0.613 . . . . 1.55 111.815 -171.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' B' ' 77' ' ' GLU . 3.8 m -95.6 -8.83 33.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.249 0.547 . . . . 2.3300000000000001 110.626 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.08 -36.28 6.04 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.856 -0.688 . . . . 2.5899999999999999 112.276 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 28.8 tptp . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.383 -0.817 . . . . 4.4000000000000004 109.883 177.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.996 0.426 . . . . 3.6800000000000002 110.454 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -59.55 127.26 31.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.83 -0.623 . . . . 2.3999999999999999 111.142 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -66.93 -33.77 76.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.684 -0.689 . . . . 2.52 110.26 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.86 -48.85 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.858 -0.61 . . . . 1.8999999999999999 111.629 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB2' ' HE3' ' A' ' 19' ' ' LYS . 20.4 ptmt -69.6 -35.92 75.74 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.901 -0.32 . . . . 1.49 111.166 -177.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 48.0 mtm105 -72.04 -33.99 68.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.097 0.475 . . . . 2.3399999999999999 110.384 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.664 HD13 ' CD2' ' B' ' 76' ' ' PHE . 6.1 tp -59.56 -47.76 84.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.176 -0.92 . . . . 0.69999999999999996 110.832 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -60.65 -62.26 1.99 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.815 0.672 . . . . 0.82999999999999996 112.815 -175.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 4.2 p90 -60.74 -37.97 83.6 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.891 0.377 . . . . 2.9900000000000002 111.325 -170.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.15 99.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.986 -0.552 . . . . 1.1399999999999999 110.969 -177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.3 mt -72.43 -38.34 60.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.078 -0.51 . . . . 0.96999999999999997 109.908 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.557 HG23 HG23 ' A' ' 50' ' ' ILE . 48.4 mt -53.33 -49.45 52.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.78000000000000003 111.496 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' HIS . 16.7 mm100 -60.02 -45.32 93.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 1.5800000000000001 111.162 -178.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.69 -37.88 85.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.244 0.545 . . . . 1.98 110.689 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.506 ' HA ' HE21 ' A' ' 32' ' ' GLN . 7.2 mp -70.9 -28.18 64.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 0.69999999999999996 110.823 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' A' ' 27' ' ' GLN . 35.6 t-80 -61.44 -46.04 91.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 1.4099999999999999 110.103 174.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.15 -50.75 70.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 1.98 110.204 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 29' ' ' LEU . 19.2 mt-30 -52.68 -40.93 63.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 1.9199999999999999 111.521 176.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -51.38 69.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.687 -0.688 . . . . 1.22 111.006 -176.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -91.59 -14.56 30.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.327 0.492 . . . . 3.4900000000000002 112.327 -171.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -93.29 -7.42 45.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 2.6800000000000002 111.143 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.59 43.05 10.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.53000000000000003 112.667 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.39 -73.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.52000000000000002 111.795 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -69.02 170.56 9.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.255 -0.276 . . . . 0.82999999999999996 110.255 174.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -71.25 165.5 23.53 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.304 -0.258 . . . . 1.4199999999999999 110.304 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -57.44 -54.16 49.97 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.747 0.277 . . . . 1.6299999999999999 111.747 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.85 -36.15 74.11 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.269 0.557 . . . . 2.2000000000000002 110.547 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -67.05 -48.0 69.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.331 -0.85 . . . . 0.54000000000000004 110.514 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -49.22 -58.24 5.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.69 -0.686 . . . . 1.5600000000000001 111.779 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.1 mt-10 -43.32 -53.59 5.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.314 -0.857 . . . . 2.3599999999999999 111.92 177.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.9 t -73.81 -28.11 61.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.47 . . . . 1.04 110.639 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.85 -44.22 90.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 1.28 110.894 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.94 -36.14 81.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.844 0.354 . . . . 1.76 110.112 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 44' ' ' GLU . 94.5 t -60.43 -44.45 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.71 -0.478 . . . . 0.48999999999999999 109.71 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -58.65 -39.72 81.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.713 -0.676 . . . . 0.47999999999999998 111.18 178.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.557 HG23 HG23 ' A' ' 26' ' ' ILE . 68.6 mt -54.92 -57.23 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.60999999999999999 111.261 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -63.6 -31.74 73.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.467 -0.333 . . . . 1.8400000000000001 111.72 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.1 m -69.11 -44.95 71.4 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.091 -0.244 . . . . 0.68999999999999995 110.676 178.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 95.8 mt -61.96 -39.75 93.21 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.056 0.455 . . . . 0.76000000000000001 109.957 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -52.56 -55.97 18.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.132 -0.94 . . . . 1.6499999999999999 110.831 177.146 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.7 m -72.17 -34.99 68.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.211 -0.45 . . . . 1.1599999999999999 111.314 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.5 64.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.365 -0.38 . . . . 1.1499999999999999 111.467 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 79.0 m-85 -82.56 -10.19 59.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.852 0.358 . . . . 2.0499999999999998 111.371 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.16 28.17 66.87 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.065 -0.588 . . . . 2.6000000000000001 111.912 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 29.8 m -100.6 156.78 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.919 0.39 . . . . 1.3500000000000001 110.577 -177.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.9 p -137.96 -174.64 3.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.86 -0.609 . . . . 2.3799999999999999 110.609 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.09 -22.9 32.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.956 0.408 . . . . 2.21 110.428 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HA ' ' OD2' ' A' ' 65' ' ' ASP . 33.5 mm-40 -64.12 -39.9 95.03 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.823 0.821 . . . . 4.0099999999999998 109.775 175.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -72.12 -11.08 60.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.142 -0.935 . . . . 3.6200000000000001 110.179 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.551 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 31.7 t -87.98 -18.84 28.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.683 -0.689 . . . . 2.9100000000000001 109.743 175.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 67' ' ' ALA . 33.7 m-20 -72.14 -34.51 68.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.222 -0.444 . . . . 3.46 110.303 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.93 27.46 0.23 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.186 -0.461 . . . . 1.8700000000000001 110.945 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -48.42 130.45 16.65 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.254 -0.885 . . . . 1.53 112.78 -176.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.503 HD12 HD11 ' A' ' 72' ' ' LEU . 96.4 mt -69.85 159.08 85.49 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 114.939 -1.028 . . . . 1.55 110.548 177.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -44.81 -50.57 8.33 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.311 2.674 . . . . 2.7400000000000002 113.321 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -118.43 152.63 35.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.036 -0.529 . . . . 2.75 109.951 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.3 p -73.17 141.4 47.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.461 0.648 . . . . 1.55 110.074 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.655 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 10.1 mp -69.98 -42.59 17.93 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.115 -0.948 . . . . 1.79 113.082 -172.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.45 -31.38 68.4 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.465 1.443 . . . . 1.0700000000000001 112.197 171.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -74.52 -37.69 63.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.75 0.31 . . . . 2.2799999999999998 110.227 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.1 mt -55.56 -51.02 62.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.343 0.592 . . . . 1.3799999999999999 110.242 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.667 ' CD2' HD13 ' B' ' 21' ' ' LEU . 0.9 OUTLIER -61.78 -36.27 80.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.35 -0.841 . . . . 2.3599999999999999 111.975 -178.785 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -54.54 -35.41 63.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.098 0.475 . . . . 2.52 109.862 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.62 -55.6 3.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.081 -0.509 . . . . 0.65000000000000002 111.528 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.85 -57.36 4.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.627 0.602 . . . . 0.98999999999999999 112.627 -172.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.37 -21.71 61.25 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.301 0.482 . . . . 1.5600000000000001 112.301 -169.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.451 ' HA ' ' NH1' ' B' ' 20' ' ' ARG . 50.7 m -74.63 -28.41 60.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.711 0.263 . . . . 2.3300000000000001 111.711 -178.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -176.66 115.46 0.52 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 119.671 -1.252 . . . . 2.5899999999999999 113.368 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.74 -0.647 . . . . 4.4100000000000001 109.386 173.204 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.963 0.411 . . . . 3.6800000000000002 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.75 127.41 31.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.83 -0.623 . . . . 2.4199999999999999 111.119 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -66.98 -33.78 76.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.693 -0.685 . . . . 2.52 110.227 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.87 -48.83 80.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.888 -0.596 . . . . 1.8899999999999999 111.609 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' B' ' 19' ' ' LYS . 20.4 ptmt -69.58 -35.88 75.76 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.899 -0.32 . . . . 1.49 111.2 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.451 ' NH1' ' HA ' ' A' ' 81' ' ' THR . 48.0 mtm105 -72.1 -34.01 68.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.163 0.506 . . . . 2.3399999999999999 110.397 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.667 HD13 ' CD2' ' A' ' 76' ' ' PHE . 6.1 tp -59.51 -47.81 84.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.189 -0.914 . . . . 0.69999999999999996 110.771 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.48 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -60.7 -62.24 2.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.741 0.645 . . . . 0.82999999999999996 112.741 -175.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.556 ' CD1' ' HA ' ' B' ' 64' ' ' SER . 4.3 p90 -60.84 -38.01 84.03 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.904 0.383 . . . . 2.9900000000000002 111.221 -170.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.31 99.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.54 . . . . 1.1399999999999999 110.975 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 46.4 mt -72.29 -38.38 61.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.096 -0.502 . . . . 0.96999999999999997 109.964 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.573 HG23 HG23 ' B' ' 50' ' ' ILE . 47.8 mt -53.27 -49.57 51.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.504 . . . . 0.78000000000000003 111.443 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -60.0 -45.32 93.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.712 0.292 . . . . 1.5800000000000001 111.193 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -66.76 -37.76 85.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.146 0.498 . . . . 1.98 110.665 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.5 ' HA ' HE21 ' B' ' 32' ' ' GLN . 7.2 mp -70.76 -28.29 64.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.022 -0.536 . . . . 0.69999999999999996 110.86 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -61.52 -46.0 91.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 1.4099999999999999 110.147 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.24 -50.58 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 1.98 110.162 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.5 HE21 ' HA ' ' B' ' 29' ' ' LEU . 19.1 mt-30 -52.72 -41.02 63.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 1.9299999999999999 111.478 176.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -51.67 68.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.75 -0.659 . . . . 1.22 110.94 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -91.65 -14.17 30.56 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.347 0.499 . . . . 3.5 112.347 -171.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -93.53 -7.42 44.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.322 . . . . 2.6899999999999999 111.104 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.81 42.51 11.11 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.799 -0.715 . . . . 0.53000000000000003 112.696 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.81 -74.29 0.67 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.862 -0.685 . . . . 0.53000000000000003 111.674 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.437 HD22 ' N ' ' B' ' 38' ' ' LEU . 3.2 mm? -68.58 170.36 9.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.336 -0.246 . . . . 0.82999999999999996 110.336 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -70.98 165.5 23.28 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.377 -0.231 . . . . 1.4199999999999999 110.377 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.1 t -57.68 -53.99 51.93 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.641 0.238 . . . . 1.6299999999999999 111.641 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.71 -36.26 73.98 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.296 0.57 . . . . 2.21 110.553 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.06 -48.03 69.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.272 -0.876 . . . . 0.54000000000000004 110.442 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -49.25 -58.14 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.407 0.683 . . . . 1.5700000000000001 111.777 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.453 ' O ' HG23 ' B' ' 48' ' ' VAL . 41.3 mt-10 -43.42 -53.52 5.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.279 -0.873 . . . . 2.3599999999999999 111.897 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 13.0 t -73.84 -28.18 61.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.131 0.491 . . . . 1.04 110.603 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.75 -44.33 90.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.806 -0.633 . . . . 1.28 110.922 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.84 -36.17 81.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 1.75 110.123 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 44' ' ' GLU . 99.4 t -60.51 -44.37 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.735 -0.468 . . . . 0.48999999999999999 109.735 174.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -58.57 -39.76 81.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.654 -0.703 . . . . 0.47999999999999998 111.235 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.573 HG23 HG23 ' B' ' 26' ' ' ILE . 68.2 mt -54.96 -57.22 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.62 111.285 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -63.54 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 1.8400000000000001 111.705 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 49' ' ' ALA . 71.7 m -69.09 -44.9 71.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.754 -0.203 . . . . 0.68999999999999995 110.654 178.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 95.8 mt -62.16 -39.73 93.63 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.074 0.464 . . . . 0.76000000000000001 109.941 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 0.1 OUTLIER -52.4 -56.07 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.091 -0.959 . . . . 1.6599999999999999 110.774 177.066 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 22.1 m -72.18 -35.15 68.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.298 -0.41 . . . . 1.1499999999999999 111.3 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.415 ' O ' ' HB1' ' A' ' 42' ' ' ALA . . . -60.65 -52.45 65.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.981 0.42 . . . . 1.1399999999999999 111.646 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.48 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 79.5 m-85 -82.58 -10.04 59.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 2.0600000000000001 111.424 -178.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.04 28.18 67.09 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.927 -0.654 . . . . 2.6000000000000001 111.9 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.593 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 30.7 m -100.59 156.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.722 0.296 . . . . 1.3500000000000001 110.652 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 24.2 p -138.14 -174.48 3.81 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.977 -0.556 . . . . 2.3799999999999999 110.487 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.38 -22.65 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.969 0.414 . . . . 2.21 110.414 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.423 ' HA ' ' OD2' ' B' ' 65' ' ' ASP . 33.2 mm-40 -64.24 -39.82 94.74 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.877 0.846 . . . . 4.0 109.757 175.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.18 -11.16 60.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.113 -0.949 . . . . 3.6200000000000001 110.091 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.556 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 30.9 t -87.88 -18.99 27.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.679 -0.692 . . . . 2.9199999999999999 109.694 175.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' ALA . 32.8 m-20 -72.1 -34.39 68.59 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.261 -0.427 . . . . 3.46 110.323 177.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.67 26.66 0.23 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.173 -0.467 . . . . 1.8700000000000001 111.088 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.472 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -47.75 130.34 14.51 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.226 -0.897 . . . . 1.54 112.926 -176.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.499 HD12 HD11 ' B' ' 72' ' ' LEU . 96.4 mt -69.85 159.02 85.71 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.98 -1.009 . . . . 1.5600000000000001 110.611 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -45.17 -49.72 9.75 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.258 2.639 . . . . 2.75 113.422 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -118.94 152.82 35.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.474 . . . . 2.7599999999999998 109.897 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -73.6 144.23 46.06 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.505 0.669 . . . . 1.55 109.584 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.655 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 10.1 mp -72.14 -42.4 9.4 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.129 -0.941 . . . . 1.79 112.93 -172.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.32 -31.48 67.53 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.447 1.432 . . . . 1.0600000000000001 112.259 171.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -74.59 -37.56 62.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.451 -0.341 . . . . 2.27 110.267 178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.77 -50.99 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.275 0.559 . . . . 1.3700000000000001 110.069 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.664 ' CD2' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -61.81 -36.26 80.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.372 -0.831 . . . . 2.3700000000000001 111.975 -178.722 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -54.48 -35.6 63.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.177 -0.465 . . . . 2.5099999999999998 109.954 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.33 -55.56 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.154 -0.475 . . . . 0.64000000000000001 111.569 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.06 -57.02 4.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.782 0.66 . . . . 0.98999999999999999 112.782 -172.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.58 -21.87 61.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.233 0.457 . . . . 1.55 112.233 -169.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.429 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 52.1 m -74.45 -28.77 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.699 0.259 . . . . 2.3300000000000001 111.699 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -176.45 115.24 0.51 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.679 -1.248 . . . . 2.5899999999999999 113.393 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.599 -0.715 . . . . 4.4000000000000004 109.335 173.137 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.194 -0.669 . . . . 3.6800000000000002 109.194 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -65.31 114.26 4.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.399 -0.364 . . . . 2.3999999999999999 111.386 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.457 HD22 ' HB3' ' B' ' 76' ' ' PHE . 21.4 p-10 -70.24 -21.09 63.03 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.387 -0.597 . . . . 2.52 109.387 175.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 7.4 mmmm -57.4 -57.75 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.842 -1.072 . . . . 1.8999999999999999 111.275 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.47 -40.17 92.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.259 -0.428 . . . . 1.49 111.23 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 42.3 mtm180 -71.55 -23.88 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 2.3399999999999999 110.878 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 11.8 tp -65.57 -43.41 89.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.717 -0.674 . . . . 0.69999999999999996 110.402 174.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -61.94 -61.52 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.82999999999999996 112.231 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.652 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 4.4 p90 -62.2 -35.22 78.19 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.041 0.448 . . . . 2.9900000000000002 110.771 -173.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 72' ' ' LEU . . . -59.42 -47.26 86.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.594 -0.73 . . . . 1.1399999999999999 110.969 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.411 HG23 HD13 ' A' ' 29' ' ' LEU . 51.6 mt -67.55 -38.86 81.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.636 -0.711 . . . . 0.96999999999999997 110.157 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 22' ' ' ALA . 64.7 mt -55.03 -51.21 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.78000000000000003 111.247 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -58.29 -52.88 63.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 1.5800000000000001 111.489 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.42 -46.87 88.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.946 -0.57 . . . . 1.98 110.82 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.61 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.1 mp -70.67 -25.75 63.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.324 -0.398 . . . . 0.69999999999999996 111.582 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -65.89 -53.52 38.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.96 0.41 . . . . 1.4099999999999999 110.537 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.99 -47.54 79.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.07 -0.514 . . . . 1.98 110.287 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.512 HE21 ' HA ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -57.02 -34.37 68.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.571 -0.741 . . . . 1.9199999999999999 111.175 178.349 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.1 -40.37 97.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 1.22 110.356 -177.526 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -78.08 -26.76 48.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.24 -0.436 . . . . 3.4900000000000002 110.834 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -75.79 -32.02 59.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 2.6800000000000002 110.982 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.65 41.87 4.63 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.707 -0.679 . . . . 0.53000000000000003 111.869 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' HA3' ' HG2' ' A' ' 32' ' ' GLN . . . -63.91 -54.16 32.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.971 -0.633 . . . . 0.52000000000000002 112.47 -178.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.17 -178.78 5.74 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.193 -0.299 . . . . 0.82999999999999996 110.193 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 t -73.26 171.5 12.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.911 -0.131 . . . . 1.4199999999999999 110.746 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -58.83 -52.62 64.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.905 0.335 . . . . 1.6299999999999999 111.905 -174.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.1 -31.77 71.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.229 0.538 . . . . 2.2000000000000002 110.454 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -67.38 -40.96 85.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.828 -0.624 . . . . 0.54000000000000004 110.673 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.538 ' O ' HD21 ' A' ' 33' ' ' LEU . 38.5 mt-30 -52.23 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.843 -0.617 . . . . 1.5600000000000001 111.645 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 47' ' ' GLU . 11.0 pt-20 -53.98 -31.74 51.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.771 -0.65 . . . . 2.3599999999999999 111.821 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.4 m -67.53 -36.83 81.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.451 0.167 . . . . 1.04 110.913 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 63.9 mt -62.99 -41.15 99.49 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.929 -0.397 . . . . 1.28 109.929 177.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' OE1' ' HA ' ' A' ' 44' ' ' GLU . 48.5 mt-10 -57.54 -52.96 63.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 1.76 110.613 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 44' ' ' GLU . 37.1 t -57.02 -41.62 77.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.999 0.428 . . . . 0.48999999999999999 110.243 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.497 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -62.69 -43.63 98.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.914 -0.585 . . . . 0.47999999999999998 110.788 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 46' ' ' LEU . 52.2 mt -57.0 -50.94 74.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.026 -0.534 . . . . 0.60999999999999999 111.162 179.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.96 -42.17 84.45 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.941 0.4 . . . . 1.8400000000000001 110.691 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 77.1 m -66.04 -47.47 74.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.541 . . . . 0.68999999999999995 111.151 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 92.3 mt -60.94 -44.17 97.64 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.814 0.34 . . . . 0.76000000000000001 110.514 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 37.7 tt0 -57.49 -49.66 75.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 1.6499999999999999 110.712 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.4 m -69.26 -29.69 67.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.809 -0.632 . . . . 1.1599999999999999 111.014 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.39 -62.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 1.1499999999999999 112.028 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 86.9 m-85 -69.94 -18.11 63.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.542 -0.299 . . . . 2.0499999999999998 111.746 -175.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.16 27.19 50.23 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.735 -0.745 . . . . 2.6000000000000001 111.759 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 35.4 m -100.14 151.52 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.595 0.236 . . . . 1.3500000000000001 110.438 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.0 p -137.91 -171.41 3.0 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.871 -0.418 . . . . 2.3799999999999999 109.871 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.2 -25.78 38.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.468 . . . . 2.21 110.001 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 65' ' ' ASP . 16.2 mt-10 -68.2 -41.32 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.741 0.782 . . . . 4.0099999999999998 109.781 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -74.16 -18.25 60.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.33 -0.85 . . . . 3.6200000000000001 109.279 177.628 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 30.8 t -84.77 -12.65 53.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.321 -0.854 . . . . 2.9100000000000001 109.845 174.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 29.6 t70 -78.95 -29.29 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.888 -0.596 . . . . 3.46 110.076 178.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.6 pp -81.52 28.78 0.39 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.199 0.524 . . . . 1.8700000000000001 110.559 173.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -53.61 138.02 35.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.295 -0.866 . . . . 1.53 112.718 -176.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.453 HD12 HD21 ' A' ' 72' ' ' LEU . 93.5 mt -67.53 155.29 91.47 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.109 -0.95 . . . . 1.55 110.585 177.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -43.54 -49.14 7.99 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.865 3.043 . . . . 2.7400000000000002 113.466 -176.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -118.96 161.47 20.14 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.068 -0.345 . . . . 2.75 110.068 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 p -69.03 142.8 54.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.488 0.661 . . . . 1.55 110.723 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.472 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 3.8 mm? -79.71 -39.16 1.29 Allowed Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.307 -0.86 . . . . 1.79 112.895 -173.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 89.3 Cg_exo -54.42 -29.57 59.54 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.363 1.376 . . . . 1.0700000000000001 112.159 170.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -68.92 -46.42 68.32 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.203 -0.665 . . . . 2.2799999999999998 109.203 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.75 -39.5 56.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.868 -0.606 . . . . 1.3799999999999999 110.252 172.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 1.2 t80 -66.52 -20.09 65.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.491 -0.777 . . . . 2.3599999999999999 111.238 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 43.5 mt-10 -77.9 -36.17 49.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.043 0.449 . . . . 2.52 110.245 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.06 -58.98 2.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.694 -0.684 . . . . 0.65000000000000002 112.178 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.79 -37.62 86.79 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.266 0.469 . . . . 0.98999999999999999 112.266 -172.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -69.64 -21.27 63.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.319 -0.4 . . . . 1.5600000000000001 111.546 -176.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.5 p -99.29 6.04 46.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.113 0.482 . . . . 2.3300000000000001 110.747 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.79 79.81 1.5 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.85 -0.69 . . . . 2.5899999999999999 112.008 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.405 -0.807 . . . . 4.4100000000000001 109.984 178.947 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.379 -0.6 . . . . 3.6800000000000002 109.379 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.17 114.36 4.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.888 0.375 . . . . 2.4199999999999999 111.41 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.446 HD22 ' HB3' ' A' ' 76' ' ' PHE . 21.2 p-10 -70.32 -21.14 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.359 -0.608 . . . . 2.52 109.359 175.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 7.4 mmmm -57.33 -57.86 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.824 -1.08 . . . . 1.8899999999999999 111.368 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.25 -40.27 93.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 1.49 111.259 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.582 ' HA ' ' CE2' ' B' ' 23' ' ' TYR . 42.6 mtm180 -71.49 -23.86 61.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 2.3399999999999999 110.964 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 11.8 tp -65.55 -43.54 89.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.709 -0.678 . . . . 0.69999999999999996 110.376 174.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.47 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -61.81 -61.5 2.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.82999999999999996 112.217 -175.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.644 ' OH ' ' HA ' ' B' ' 67' ' ' ALA . 4.3 p90 -62.33 -35.12 78.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.042 0.449 . . . . 2.9900000000000002 110.769 -173.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' B' ' 72' ' ' LEU . . . -59.47 -47.38 85.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.579 -0.737 . . . . 1.1399999999999999 111.031 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.433 HG23 HD13 ' B' ' 29' ' ' LEU . 51.4 mt -67.37 -38.91 81.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.639 -0.709 . . . . 0.96999999999999997 110.099 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 22' ' ' ALA . 64.4 mt -55.1 -51.07 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.78000000000000003 111.287 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -58.3 -52.68 64.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.779 0.323 . . . . 1.5800000000000001 111.623 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.76 -46.68 89.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.892 -0.595 . . . . 1.98 110.81 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.1 mp -70.77 -25.64 62.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.245 -0.434 . . . . 0.69999999999999996 111.564 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -66.01 -53.44 38.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.984 0.421 . . . . 1.4099999999999999 110.474 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.95 -47.68 79.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.555 . . . . 1.98 110.371 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.515 HE21 ' HA ' ' B' ' 29' ' ' LEU . 0.6 OUTLIER -56.96 -34.26 67.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.505 -0.77 . . . . 1.9299999999999999 111.167 178.332 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.601 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -63.21 -40.32 97.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.37 -0.377 . . . . 1.22 110.428 -177.567 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -77.96 -26.95 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.26 -0.427 . . . . 3.5 110.865 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -75.77 -31.84 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.07 0.462 . . . . 2.6899999999999999 110.971 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.41 42.13 4.64 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.952 -0.642 . . . . 0.53000000000000003 111.769 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.405 ' HA3' ' HG2' ' B' ' 32' ' ' GLN . . . -63.91 -54.34 31.44 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.973 -0.632 . . . . 0.53000000000000003 112.38 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.15 -178.66 5.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.152 -0.314 . . . . 0.82999999999999996 110.152 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.0 t -73.31 171.49 12.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.828 -0.169 . . . . 1.4199999999999999 110.646 -178.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.1 m -58.86 -52.6 65.04 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 111.873 0.323 . . . . 1.6299999999999999 111.873 -174.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -68.0 -31.77 71.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.327 0.584 . . . . 2.21 110.504 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -67.5 -40.76 85.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 0.54000000000000004 110.71 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.549 ' O ' HD21 ' B' ' 33' ' ' LEU . 38.3 mt-30 -52.32 -65.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.817 -0.629 . . . . 1.5700000000000001 111.588 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' B' ' 47' ' ' GLU . 10.9 pt-20 -53.88 -31.95 51.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.768 -0.651 . . . . 2.3599999999999999 111.779 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -67.21 -37.06 83.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.539 0.209 . . . . 1.04 110.862 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 63.6 mt -63.09 -41.01 99.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.854 -0.424 . . . . 1.28 109.854 177.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.421 ' OE1' ' HA ' ' B' ' 44' ' ' GLU . 47.5 mt-10 -57.37 -53.26 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 1.75 110.632 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 44' ' ' GLU . 37.2 t -56.96 -41.55 77.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.48999999999999999 110.207 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -62.81 -43.5 98.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.47999999999999998 110.818 176.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 46' ' ' LEU . 52.4 mt -57.02 -50.83 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.999 -0.546 . . . . 0.62 111.234 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.09 -42.07 84.81 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.862 0.363 . . . . 1.8400000000000001 110.716 178.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 76.7 m -66.06 -47.5 74.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.68999999999999995 111.12 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 92.4 mt -60.91 -44.1 97.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.76000000000000001 110.556 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 37.9 tt0 -57.61 -49.57 75.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.744 -0.662 . . . . 1.6599999999999999 110.738 177.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.4 m -69.47 -29.57 67.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.758 -0.656 . . . . 1.1499999999999999 110.989 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.25 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 1.1399999999999999 111.913 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.47 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 86.8 m-85 -69.79 -18.44 63.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 2.0600000000000001 111.68 -175.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.57 27.08 48.79 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.758 -0.735 . . . . 2.6000000000000001 111.624 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.575 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 35.5 m -100.09 151.58 5.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.591 0.234 . . . . 1.3500000000000001 110.39 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 57.1 p -138.16 -171.58 3.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.835 -0.431 . . . . 2.3799999999999999 109.835 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 8.2 p -62.04 -25.91 38.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.18 0.514 . . . . 2.21 110.0 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' B' ' 65' ' ' ASP . 16.2 mt-10 -68.15 -41.08 82.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.763 0.792 . . . . 4.0 109.829 176.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 0.9 OUTLIER -74.48 -18.32 60.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.376 -0.829 . . . . 3.6200000000000001 109.261 177.608 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 32.7 t -84.57 -12.83 53.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.226 -0.897 . . . . 2.9199999999999999 109.933 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' B' ' 62' ' ' GLU . 30.0 t70 -78.9 -29.11 44.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.952 -0.567 . . . . 3.46 110.136 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.6 pp -81.09 27.25 0.41 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.226 0.536 . . . . 1.8700000000000001 110.754 173.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.644 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -52.45 138.04 28.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.248 -0.887 . . . . 1.54 112.744 -176.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.437 HD12 HD21 ' B' ' 72' ' ' LEU . 93.5 mt -67.59 155.27 91.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.09 -0.959 . . . . 1.5600000000000001 110.607 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -43.49 -49.13 7.93 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.903 3.069 . . . . 2.75 113.573 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -118.91 161.94 19.34 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.062 -0.348 . . . . 2.7599999999999998 110.062 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 13.9 p -69.77 145.01 52.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.539 0.685 . . . . 1.55 110.352 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 3.8 mm? -81.52 -38.92 0.95 Allowed Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.41 -0.814 . . . . 1.79 112.696 -172.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.502 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 87.7 Cg_exo -54.44 -29.67 60.19 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.289 1.326 . . . . 1.0600000000000001 112.203 169.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -68.81 -46.65 68.07 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.159 -0.682 . . . . 2.27 109.159 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.66 -39.34 54.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 1.3700000000000001 110.325 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 1.2 t80 -66.58 -20.16 65.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.538 -0.756 . . . . 2.3700000000000001 111.295 -177.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 42.8 mt-10 -77.71 -36.83 50.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.042 0.448 . . . . 2.5099999999999998 110.189 176.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.37 -59.09 2.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.702 -0.681 . . . . 0.64000000000000001 112.266 -176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.89 87.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.193 0.442 . . . . 0.98999999999999999 112.193 -172.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -69.3 -21.4 63.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.304 -0.407 . . . . 1.55 111.643 -176.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 23.3 p -99.38 6.16 46.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.179 0.514 . . . . 2.3300000000000001 110.765 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.84 80.11 1.49 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.787 -0.721 . . . . 2.5899999999999999 112.007 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.473 -0.775 . . . . 4.4000000000000004 109.929 179.006 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.116 0.484 . . . . 3.6800000000000002 110.487 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -78.25 101.45 7.13 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.719 -0.673 . . . . 2.3999999999999999 110.575 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.489 ' OD1' ' HB3' ' B' ' 80' ' ' ALA . 7.6 t30 -68.26 -32.56 72.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.738 -0.665 . . . . 2.52 109.694 177.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -54.9 -54.27 44.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.727 -0.67 . . . . 1.8999999999999999 111.638 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -69.91 -36.76 75.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.524 -0.307 . . . . 1.49 111.735 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.32 -30.94 63.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.158 0.504 . . . . 2.3399999999999999 110.506 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' B' ' 76' ' ' PHE . 33.9 tp -61.93 -45.46 93.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.417 -0.81 . . . . 0.69999999999999996 110.374 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.625 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -59.39 -63.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.325 -0.852 . . . . 0.82999999999999996 112.617 -175.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 4.0 p90 -61.13 -35.28 76.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.997 0.427 . . . . 2.9900000000000002 110.692 -172.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.62 94.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 1.1399999999999999 110.818 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.8 mt -68.68 -39.49 80.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.96999999999999997 110.09 175.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.608 HG23 HG23 ' A' ' 50' ' ' ILE . 67.7 mt -56.79 -53.2 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 0.78000000000000003 111.473 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -62.86 -36.23 82.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 1.5800000000000001 111.211 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.438 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 64.4 t80 -67.32 -44.46 79.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.179 -0.464 . . . . 1.98 109.9 176.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 7.9 mp -67.03 -28.42 68.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.69999999999999996 111.068 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -67.88 -46.12 72.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.973 0.416 . . . . 1.4099999999999999 110.037 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -66.63 -40.94 88.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.51 0.671 . . . . 1.98 109.852 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -60.0 -37.06 78.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.853 -1.067 . . . . 1.9199999999999999 110.468 177.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.602 HD23 ' HB2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -67.96 -46.89 70.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.812 . . . . 1.22 109.601 178.271 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -64.65 -35.15 80.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.518 -0.765 . . . . 3.4900000000000002 110.927 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -81.36 -18.61 45.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.32 -0.4 . . . . 2.6800000000000002 111.203 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.44 41.71 24.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.076 -0.583 . . . . 0.53000000000000003 111.802 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.19 -37.8 95.04 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.317 -0.468 . . . . 0.52000000000000002 113.558 -174.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 4.4 mm? -100.83 176.6 5.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.817 0.341 . . . . 0.82999999999999996 111.686 -177.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -72.34 -171.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.656 -0.702 . . . . 1.4199999999999999 111.14 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 40.5 t -62.94 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.848 0.314 . . . . 1.6299999999999999 111.848 -174.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -66.38 -30.2 70.53 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.384 0.611 . . . . 2.2000000000000002 110.071 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 38' ' ' LEU . . . -62.64 -43.33 99.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.012 -0.994 . . . . 0.54000000000000004 110.934 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.48 ' O ' HD21 ' A' ' 33' ' ' LEU . 55.0 tt0 -62.8 -44.25 96.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 1.5600000000000001 110.381 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 40' ' ' SER . 6.2 mm-40 -61.99 -37.15 83.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.978 -0.555 . . . . 2.3599999999999999 110.152 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.3 m -68.81 -26.51 65.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.545 -0.752 . . . . 1.04 111.591 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.602 ' HB2' HD23 ' A' ' 33' ' ' LEU . 28.9 mt -64.1 -51.1 65.63 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 120.643 -0.423 . . . . 1.28 110.152 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -58.15 -45.51 87.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.203 -0.453 . . . . 1.76 110.919 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.416 ' HB ' ' SG ' ' B' ' 52' ' ' CYS . 68.0 t -60.4 -45.23 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.48999999999999999 110.531 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.69 84.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.47999999999999998 111.128 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.608 HG23 HG23 ' A' ' 26' ' ' ILE . 63.6 mt -56.26 -55.73 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.60999999999999999 110.589 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -65.57 -34.74 78.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.013 -0.54 . . . . 1.8400000000000001 110.632 -177.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.438 ' SG ' ' HB ' ' B' ' 48' ' ' VAL . 9.4 t -70.63 -48.2 56.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.888 -0.597 . . . . 0.68999999999999995 110.925 -177.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.4 mt -70.87 -32.22 69.15 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.554 0.216 . . . . 0.76000000000000001 111.094 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.96 -47.24 81.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.328 -0.619 . . . . 1.6499999999999999 109.328 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -69.99 -35.24 74.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.373 -0.831 . . . . 1.1599999999999999 110.816 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -62.77 -52.65 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.038 -0.528 . . . . 1.1499999999999999 112.085 -177.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.625 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 86.2 m-85 -82.67 -5.97 59.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.998 0.427 . . . . 2.0499999999999998 111.122 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.57 26.13 74.6 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.882 -0.599 . . . . 2.6000000000000001 112.011 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.3 m -95.19 162.16 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.996 0.427 . . . . 1.3500000000000001 110.773 -177.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.1 p -139.42 -171.89 3.23 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.67 -0.695 . . . . 2.3799999999999999 109.969 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -69.3 -20.78 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.058 0.456 . . . . 2.21 110.032 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.97 -37.3 87.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.461 0.648 . . . . 4.0099999999999998 109.892 175.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.82 -16.65 62.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.448 -0.796 . . . . 3.6200000000000001 109.785 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.574 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 30.6 t -89.3 -13.62 37.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.771 -0.649 . . . . 2.9100000000000001 110.04 175.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' C ' ' H ' ' A' ' 67' ' ' ALA . 21.1 t70 -75.01 -34.85 61.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.091 0.472 . . . . 3.46 109.887 177.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -80.13 28.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 1.8700000000000001 110.524 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.439 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -50.05 134.54 21.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.26 -0.882 . . . . 1.53 112.749 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.467 HD12 HD21 ' A' ' 72' ' ' LEU . 87.9 mt -71.43 160.47 82.47 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 114.793 -1.094 . . . . 1.55 110.014 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -42.54 -41.78 8.05 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.168 2.579 . . . . 2.7400000000000002 113.462 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -134.51 160.99 36.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.504 -0.316 . . . . 2.75 110.204 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -68.33 141.51 55.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.36 0.6 . . . . 1.55 110.413 176.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.637 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 66.2 mt -72.95 -42.44 7.41 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.218 -0.901 . . . . 1.79 113.391 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.518 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 71.7 Cg_exo -53.1 -31.76 55.94 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.46 1.44 . . . . 1.0700000000000001 112.07 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -62.8 -50.23 71.82 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.024 -0.535 . . . . 2.2799999999999998 109.646 175.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.402 HD12 HD23 ' A' ' 72' ' ' LEU . 55.3 mt -53.27 -44.98 55.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 115.327 -0.851 . . . . 1.3799999999999999 110.327 173.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.64 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 0.0 OUTLIER -67.26 -35.4 79.45 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.571 -0.741 . . . . 2.3599999999999999 111.31 -174.373 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 34.0 mt-10 -63.61 -25.69 68.34 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.515 -0.474 . . . . 2.52 110.451 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.459 ' O ' ' HA3' ' A' ' 82' ' ' GLY . . . -87.65 -27.11 22.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.38 -0.373 . . . . 0.65000000000000002 111.417 176.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.19 -61.15 1.63 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.925 0.393 . . . . 0.98999999999999999 111.798 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.522 ' HB3' ' OD1' ' B' ' 17' ' ' ASN . . . -59.42 -63.36 1.33 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.549 -0.75 . . . . 1.5600000000000001 112.081 -171.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 t -89.25 -1.1 57.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.007 0.432 . . . . 2.3300000000000001 110.541 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 78' ' ' ALA . . . -76.91 -31.37 53.65 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.75 -0.738 . . . . 2.5899999999999999 111.676 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.417 -0.801 . . . . 4.4100000000000001 109.862 178.161 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 71.3 mtm . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.108 0.48 . . . . 3.6800000000000002 110.558 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -78.08 101.66 7.08 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.734 -0.666 . . . . 2.4199999999999999 110.494 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.522 ' OD1' ' HB3' ' A' ' 80' ' ' ALA . 7.5 t30 -68.42 -32.55 72.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.702 -0.681 . . . . 2.52 109.66 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -55.14 -54.18 46.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.772 -0.649 . . . . 1.8899999999999999 111.521 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -69.98 -36.69 75.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.62 -0.264 . . . . 1.49 111.639 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -73.35 -30.94 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.142 0.496 . . . . 2.3399999999999999 110.481 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.493 HD13 ' CD2' ' A' ' 76' ' ' PHE . 34.2 tp -61.82 -45.58 93.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.47 -0.786 . . . . 0.69999999999999996 110.435 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.629 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -59.32 -63.57 1.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.267 -0.879 . . . . 0.82999999999999996 112.554 -175.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' B' ' 64' ' ' SER . 4.1 p90 -61.05 -35.36 76.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.015 0.436 . . . . 2.9900000000000002 110.685 -172.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.61 94.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.718 -0.673 . . . . 1.1399999999999999 110.784 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 29.2 mt -68.61 -39.56 80.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.128 -0.487 . . . . 0.96999999999999997 110.094 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.609 HG23 HG23 ' B' ' 50' ' ' ILE . 67.3 mt -56.9 -53.13 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.366 -0.379 . . . . 0.78000000000000003 111.478 177.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -62.83 -36.27 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 1.5800000000000001 111.219 -178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.44 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 64.5 t80 -67.31 -44.46 79.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.18 -0.463 . . . . 1.98 109.911 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 8.0 mp -67.06 -28.21 68.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.69999999999999996 111.141 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -68.12 -45.94 72.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.014 0.435 . . . . 1.4099999999999999 110.025 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -66.68 -40.99 88.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.518 0.675 . . . . 1.98 109.794 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -60.07 -36.9 78.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.899 -1.046 . . . . 1.9299999999999999 110.465 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -68.02 -46.84 70.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.468 -0.787 . . . . 1.22 109.612 178.327 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -64.68 -35.36 80.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.493 -0.776 . . . . 3.5 110.798 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -81.24 -18.83 44.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.922 0.392 . . . . 2.6899999999999999 111.127 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.61 41.8 23.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.055 -0.593 . . . . 0.53000000000000003 111.929 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.28 -37.74 94.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.364 -0.446 . . . . 0.53000000000000003 113.48 -174.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' B' ' 42' ' ' ALA . 4.4 mm? -101.16 176.46 5.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.951 0.405 . . . . 0.82999999999999996 111.722 -177.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -72.16 -171.74 0.79 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.728 -0.669 . . . . 1.4199999999999999 111.095 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' B' ' 44' ' ' GLU . 45.3 t -63.57 -65.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.955 0.354 . . . . 1.6299999999999999 111.955 -174.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -67.34 -30.25 70.03 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.491 0.662 . . . . 2.21 109.984 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -62.26 -43.52 98.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.908 -1.042 . . . . 0.54000000000000004 110.931 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.47 ' O ' HD21 ' B' ' 33' ' ' LEU . 54.7 tt0 -62.69 -44.57 95.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 1.5700000000000001 110.32 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 40' ' ' SER . 6.2 mm-40 -61.86 -37.07 83.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.986 -0.552 . . . . 2.3599999999999999 110.129 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.2 m -68.66 -26.83 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.519 -0.764 . . . . 1.04 111.557 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.601 ' HB2' HD23 ' B' ' 33' ' ' LEU . 28.9 mt -64.0 -51.01 66.26 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.652 -0.419 . . . . 1.28 110.163 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -58.26 -45.43 87.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.293 -0.412 . . . . 1.75 110.91 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.438 ' HB ' ' SG ' ' A' ' 52' ' ' CYS . 67.1 t -60.4 -45.29 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.48999999999999999 110.576 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.75 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.004 -0.544 . . . . 0.47999999999999998 111.127 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.609 HG23 HG23 ' B' ' 26' ' ' ILE . 62.8 mt -56.26 -55.75 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.62 110.483 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -65.56 -34.67 78.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.127 0.489 . . . . 1.8400000000000001 110.622 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.416 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 9.4 t -70.7 -48.21 55.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 0.68999999999999995 110.885 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -70.9 -32.2 69.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.51 0.195 . . . . 0.76000000000000001 111.104 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.11 -47.01 82.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.231 -0.655 . . . . 1.6599999999999999 109.231 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 29.3 m -70.11 -35.34 74.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.35 -0.841 . . . . 1.1499999999999999 110.809 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.8 61.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.1399999999999999 111.985 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.629 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 86.5 m-85 -82.58 -6.0 59.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.839 0.352 . . . . 2.0600000000000001 111.191 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.8 25.81 75.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.171 -0.538 . . . . 2.6000000000000001 112.024 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -95.11 162.14 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.984 0.421 . . . . 1.3500000000000001 110.865 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 22.5 p -139.49 -171.93 3.25 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.698 -0.683 . . . . 2.3799999999999999 109.937 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.44 -20.82 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.052 0.453 . . . . 2.21 109.926 175.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.8 -37.28 87.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.454 0.645 . . . . 4.0 109.945 174.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.02 -16.95 62.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 3.6200000000000001 109.801 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.576 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 29.6 t -88.6 -13.98 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.79 -0.641 . . . . 2.9199999999999999 110.135 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' B' ' 67' ' ' ALA . 21.3 t70 -74.98 -34.45 62.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.126 0.489 . . . . 3.46 110.012 177.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.99 27.11 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.63 -0.714 . . . . 1.8700000000000001 110.68 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.437 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -49.21 134.48 17.99 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.162 -0.926 . . . . 1.54 112.72 -175.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.455 HD12 HD21 ' B' ' 72' ' ' LEU . 88.8 mt -71.45 160.49 82.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 114.785 -1.098 . . . . 1.5600000000000001 109.928 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -42.68 -41.61 8.34 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.173 2.582 . . . . 2.75 113.556 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -134.44 161.56 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.106 -0.331 . . . . 2.7599999999999998 110.106 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.3 p -69.24 144.33 53.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.345 0.593 . . . . 1.55 110.064 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.64 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 64.7 mt -75.11 -42.23 4.25 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.238 -0.892 . . . . 1.79 113.164 -171.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.504 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 72.0 Cg_exo -53.21 -31.76 57.06 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 121.455 1.437 . . . . 1.0600000000000001 112.106 173.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -62.77 -50.19 72.01 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.253 0.549 . . . . 2.27 109.689 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.405 HD12 HD23 ' B' ' 72' ' ' LEU . 56.3 mt -53.25 -44.85 54.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 115.323 -0.853 . . . . 1.3700000000000001 110.519 172.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.637 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.39 -35.44 79.31 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.532 -0.758 . . . . 2.3700000000000001 111.292 -174.448 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 33.7 mt-10 -63.7 -25.79 68.36 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.471 -0.492 . . . . 2.5099999999999998 110.509 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.471 ' O ' ' HA3' ' B' ' 82' ' ' GLY . . . -87.19 -28.12 22.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.343 -0.39 . . . . 0.64000000000000001 111.418 176.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.89 -61.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.062 0.458 . . . . 0.98999999999999999 112.131 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 17' ' ' ASN . . . -59.81 -63.03 1.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.465 -0.789 . . . . 1.55 112.133 -170.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 7.2 t -89.54 -0.99 57.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 2.3300000000000001 110.431 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' B' ' 78' ' ' ALA . . . -76.73 -31.44 53.78 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.766 -0.73 . . . . 2.5899999999999999 111.68 178.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.276 -0.868 . . . . 4.4000000000000004 109.887 178.355 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 121.142 0.496 . . . . 3.6800000000000002 110.23 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -119.08 126.02 50.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 2.3999999999999999 110.851 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -66.31 -21.68 66.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.85 -0.614 . . . . 2.52 110.177 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -58.2 -48.06 81.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.793 -0.64 . . . . 1.8999999999999999 110.841 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -69.16 -41.35 77.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.299 0.571 . . . . 1.49 110.043 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.747 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 98.5 mtt180 -67.61 -31.32 71.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.317 -0.856 . . . . 2.3399999999999999 110.83 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -67.92 -40.43 83.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.815 -0.63 . . . . 0.69999999999999996 110.266 172.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.12 -34.62 72.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.019 -0.537 . . . . 0.82999999999999996 111.114 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.747 ' CD2' ' HA ' ' A' ' 20' ' ' ARG . 6.4 m-85 -61.26 -46.57 89.82 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.396 -0.594 . . . . 2.9900000000000002 109.396 176.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . . . -53.02 -36.32 60.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.754 -0.657 . . . . 1.1399999999999999 111.21 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.66 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 44.0 mt -84.04 -51.77 13.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.007 -0.997 . . . . 0.96999999999999997 110.025 -174.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.459 HG23 HG23 ' A' ' 50' ' ' ILE . 74.6 mt -63.13 -54.14 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.101 -0.5 . . . . 0.78000000000000003 111.066 179.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 23' ' ' TYR . 22.4 mm-40 -62.14 -56.87 14.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.039 0.755 . . . . 1.5800000000000001 113.039 -173.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -76.45 -46.82 25.25 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.879 -0.328 . . . . 1.98 111.856 -170.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.66 ' HB2' ' O ' ' A' ' 25' ' ' ILE . 10.5 mp -57.87 -32.52 67.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.982 -0.287 . . . . 0.69999999999999996 110.907 176.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -58.31 -58.1 9.98 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.105 0.478 . . . . 1.4099999999999999 110.897 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.45 -26.32 64.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.881 -0.6 . . . . 1.98 110.704 -178.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' A' ' 29' ' ' LEU . 8.2 tt0 -59.23 -40.2 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.879 -0.6 . . . . 1.9199999999999999 110.137 173.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.612 HD21 HD12 ' A' ' 46' ' ' LEU . 60.8 mt -65.74 -40.1 91.78 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.851 -0.613 . . . . 1.22 109.992 176.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -67.04 -26.04 66.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.769 -0.65 . . . . 3.4900000000000002 110.326 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -86.26 -11.54 52.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.09 0.471 . . . . 2.6800000000000002 110.924 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.57 39.16 50.32 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.868 -0.606 . . . . 0.53000000000000003 112.336 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.97 -52.44 44.96 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.067 -0.587 . . . . 0.52000000000000002 112.978 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 3.6 mm? -92.31 176.56 6.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.624 0.25 . . . . 0.82999999999999996 110.451 -178.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -72.25 158.55 35.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.174 -0.676 . . . . 1.4199999999999999 109.174 173.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -52.09 -49.55 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.694 0.257 . . . . 1.6299999999999999 111.694 -173.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.69 -42.45 83.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.107 0.479 . . . . 2.2000000000000002 110.975 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 38' ' ' LEU . . . -73.3 -32.93 64.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.868 -0.605 . . . . 0.54000000000000004 110.963 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.483 ' HA ' HD22 ' A' ' 33' ' ' LEU . 39.4 mt-30 -61.21 -66.28 0.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 1.5600000000000001 111.451 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -51.08 -31.99 20.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.722 -0.672 . . . . 2.3599999999999999 111.222 176.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -64.15 -40.24 95.72 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.368 -0.378 . . . . 1.04 110.932 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.612 HD12 HD21 ' A' ' 33' ' ' LEU . 23.0 mt -62.93 -41.51 99.5 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.661 0.267 . . . . 1.28 110.385 176.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.69 -40.88 93.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.079 -0.51 . . . . 1.76 110.847 -177.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.4 t -63.13 -43.64 99.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.194 0.521 . . . . 0.48999999999999999 110.255 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' B' ' 52' ' ' CYS . . . -61.58 -43.47 98.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.592 -0.731 . . . . 0.47999999999999998 110.981 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.459 HG23 HG23 ' A' ' 26' ' ' ILE . 70.7 mt -57.24 -46.6 84.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.645 . . . . 0.60999999999999999 111.425 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -60.84 -39.57 89.56 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.278 0.561 . . . . 1.8400000000000001 110.657 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' B' ' 49' ' ' ALA . 67.6 m -70.5 -40.64 73.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.663 -0.699 . . . . 0.68999999999999995 110.741 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 86.8 mt -64.44 -40.45 95.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.455 -0.339 . . . . 0.76000000000000001 110.557 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 35.6 tt0 -58.24 -50.1 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 1.6499999999999999 110.382 176.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -65.72 -30.66 71.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.635 -0.711 . . . . 1.1599999999999999 111.065 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.71 -60.18 2.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.54 . . . . 1.1499999999999999 111.876 -177.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -69.25 -17.84 63.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 2.0499999999999998 111.232 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.73 15.31 81.44 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.944 -0.646 . . . . 2.6000000000000001 111.912 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.604 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 30.0 m -97.97 142.42 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.026 0.441 . . . . 1.3500000000000001 110.76 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.0 p -122.09 -170.55 2.08 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.697 -0.683 . . . . 2.3799999999999999 110.421 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.89 -29.82 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.793 0.33 . . . . 2.21 110.579 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.51 -45.02 73.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.344 0.593 . . . . 4.0099999999999998 110.496 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.677 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.8 m-20 -65.27 -42.43 93.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.788 -0.642 . . . . 3.6200000000000001 109.341 176.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.6 m -69.3 -11.27 60.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.617 -0.719 . . . . 2.9100000000000001 110.804 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.26 -36.33 40.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.266 -0.425 . . . . 3.46 110.656 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.8 pp -69.04 -47.11 66.2 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.964 -0.754 . . . . 1.8700000000000001 108.964 175.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . . . 45.71 -164.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.947 1.091 . . . . 1.53 113.947 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.496 HD13 ' O ' ' B' ' 80' ' ' ALA . 94.0 mt -123.15 127.5 25.63 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 114.272 -1.331 . . . . 1.55 109.125 172.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -52.47 -42.22 62.67 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 124.279 3.319 . . . . 2.7400000000000002 113.809 -173.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.633 ' CG ' HD11 ' A' ' 75' ' ' ILE . 5.1 pm0 -87.16 139.59 30.41 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.956 -0.757 . . . . 2.75 108.956 176.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.2 p -67.69 135.86 53.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.495 0.664 . . . . 1.55 110.823 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 68' ' ' LEU . 2.5 mm? -80.19 -48.02 1.32 Allowed Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.204 -0.907 . . . . 1.79 112.87 -170.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.02 -32.1 46.97 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.424 1.416 . . . . 1.0700000000000001 111.925 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.98 -44.59 65.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.928 -0.578 . . . . 2.2799999999999998 110.557 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.633 HD11 ' CG ' ' A' ' 70' ' ' GLN . 44.6 mt -61.18 -42.2 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-O 121.184 0.516 . . . . 1.3799999999999999 109.7 173.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.542 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 14.5 m-30 -67.95 -17.28 64.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.542 -0.754 . . . . 2.3599999999999999 110.154 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -74.76 -41.38 60.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 2.52 109.647 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.36 -61.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.829 -0.623 . . . . 0.65000000000000002 112.095 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.72 -42.04 35.71 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.823 0.675 . . . . 0.98999999999999999 112.823 -169.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -61.62 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.753 0.279 . . . . 1.5600000000000001 111.753 -173.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.1 t -89.04 15.74 8.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.211 0.529 . . . . 2.3300000000000001 110.627 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.87 -163.06 9.62 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.711 -0.677 . . . . 2.5899999999999999 111.489 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.576 -0.726 . . . . 4.4100000000000001 109.958 -179.744 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.939 0.399 . . . . 3.6800000000000002 110.306 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -118.97 126.04 50.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 2.4199999999999999 110.944 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -66.34 -21.58 66.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.832 -0.622 . . . . 2.52 110.167 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -58.36 -48.07 81.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.789 -0.641 . . . . 1.8899999999999999 110.792 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -69.14 -41.34 77.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.332 0.587 . . . . 1.49 110.072 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.763 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . 98.7 mtt180 -67.64 -31.33 71.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.311 -0.859 . . . . 2.3399999999999999 110.771 -175.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 14.9 tp -67.73 -40.62 84.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.625 . . . . 0.69999999999999996 110.221 172.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.58 72.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.016 -0.538 . . . . 0.82999999999999996 111.051 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.763 ' CD2' ' HA ' ' B' ' 20' ' ' ARG . 6.5 m-85 -61.23 -46.67 89.43 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 109.369 -0.604 . . . . 2.9900000000000002 109.369 176.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.04 -36.21 60.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.673 -0.694 . . . . 1.1399999999999999 111.264 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.679 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 43.9 mt -84.1 -51.76 13.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.979 -1.01 . . . . 0.96999999999999997 110.017 -174.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.459 HG23 HG23 ' B' ' 50' ' ' ILE . 74.6 mt -63.14 -54.16 36.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.106 -0.497 . . . . 0.78000000000000003 111.059 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' B' ' 23' ' ' TYR . 22.2 mm-40 -62.1 -56.78 15.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.05 0.759 . . . . 1.5800000000000001 113.05 -173.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.57 -46.9 24.35 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.823 -0.351 . . . . 1.98 111.711 -170.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.679 ' HB2' ' O ' ' B' ' 25' ' ' ILE . 10.5 mp -57.7 -32.65 67.59 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.044 -0.262 . . . . 0.69999999999999996 110.868 176.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -58.21 -58.17 9.65 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.145 0.497 . . . . 1.4099999999999999 110.877 174.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -26.25 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.887 -0.597 . . . . 1.98 110.743 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' B' ' 29' ' ' LEU . 8.3 tt0 -59.27 -40.25 85.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.848 -0.615 . . . . 1.9299999999999999 110.129 173.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.607 HD21 HD12 ' B' ' 46' ' ' LEU . 61.3 mt -65.72 -40.21 91.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 1.22 110.047 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -66.87 -26.13 66.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.614 -0.721 . . . . 3.5 110.324 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -86.23 -11.58 52.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 2.6899999999999999 110.944 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.63 39.39 49.18 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.944 -0.571 . . . . 0.53000000000000003 112.206 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.28 -52.24 45.69 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 121.152 -0.547 . . . . 0.53000000000000003 113.049 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' B' ' 42' ' ' ALA . 3.6 mm? -92.34 176.75 6.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.818 -0.225 . . . . 0.82999999999999996 110.498 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.0 t -72.51 158.53 35.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.141 -0.689 . . . . 1.4199999999999999 109.141 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -52.16 -49.52 63.6 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.681 0.252 . . . . 1.6299999999999999 111.681 -173.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.55 -42.51 83.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.156 0.503 . . . . 2.21 111.086 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' HB3' ' B' ' 38' ' ' LEU . . . -73.25 -33.16 65.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.803 -0.635 . . . . 0.54000000000000004 110.924 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.483 ' HA ' HD22 ' B' ' 33' ' ' LEU . 39.5 mt-30 -61.15 -66.33 0.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.97 -0.559 . . . . 1.5700000000000001 111.396 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -51.09 -31.79 20.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.697 -0.683 . . . . 2.3599999999999999 111.321 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -64.22 -40.49 96.15 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.412 -0.358 . . . . 1.04 110.795 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.607 HD12 HD21 ' B' ' 33' ' ' LEU . 22.9 mt -62.71 -41.54 99.2 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.613 0.245 . . . . 1.28 110.458 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.68 -40.73 93.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.057 -0.52 . . . . 1.75 110.762 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.33 -43.56 98.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.122 0.487 . . . . 0.48999999999999999 110.166 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.418 ' HB2' ' HB2' ' A' ' 52' ' ' CYS . . . -61.66 -43.43 98.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.541 -0.754 . . . . 0.47999999999999998 110.933 178.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.459 HG23 HG23 ' B' ' 26' ' ' ILE . 70.3 mt -57.43 -46.44 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.879 -0.601 . . . . 0.62 111.43 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -61.01 -39.39 89.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.18 0.514 . . . . 1.8400000000000001 110.59 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 67.9 m -70.67 -40.6 72.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.735 -0.666 . . . . 0.68999999999999995 110.758 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 86.8 mt -64.38 -40.35 95.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.528 -0.305 . . . . 0.76000000000000001 110.598 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 35.0 tt0 -58.39 -50.11 74.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 1.6599999999999999 110.325 176.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -65.4 -30.89 71.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.654 -0.703 . . . . 1.1499999999999999 111.075 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.78 -59.91 2.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.961 -0.563 . . . . 1.1399999999999999 111.868 -176.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -69.67 -17.63 63.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 2.0600000000000001 111.187 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.82 15.34 81.36 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.865 -0.683 . . . . 2.6000000000000001 111.879 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.614 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 30.1 m -98.09 142.51 14.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.103 0.478 . . . . 1.3500000000000001 110.747 -178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.2 p -122.39 -171.35 2.25 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.636 -0.711 . . . . 2.3799999999999999 110.37 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.14 -29.91 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.742 0.306 . . . . 2.21 110.622 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -68.47 -45.11 73.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.329 0.585 . . . . 4.0 110.518 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.68 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 6.9 m-20 -65.14 -42.52 93.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.755 -0.657 . . . . 3.6200000000000001 109.487 176.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 29.5 m -68.75 -12.33 61.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.535 -0.757 . . . . 2.9199999999999999 110.861 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.56 -36.22 44.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 3.46 110.571 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.8 pp -70.27 -44.44 68.43 Favored 'General case' 0 C--O 1.231 0.085 0 C-N-CA 119.827 -0.749 . . . . 1.8700000000000001 109.201 175.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.498 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . . . 43.91 -164.06 0.01 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 114.057 1.132 . . . . 1.54 114.057 171.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 80' ' ' ALA . 94.0 mt -123.11 127.53 25.63 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 114.064 -1.425 . . . . 1.5600000000000001 109.085 172.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -52.63 -42.0 65.13 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 124.187 3.258 . . . . 2.75 113.99 -173.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLN . . . . . 0.636 ' CG ' HD11 ' B' ' 75' ' ' ILE . 5.1 pm0 -87.31 140.15 29.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.886 -0.783 . . . . 2.7599999999999998 108.886 176.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 20.5 p -69.3 141.11 54.4 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.918 -0.713 . . . . 1.55 109.882 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' B' ' 68' ' ' LEU . 2.5 mm? -83.22 -48.42 0.77 Allowed Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.106 -0.952 . . . . 1.79 112.753 -170.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' B' ' 72' ' ' LEU . 51.6 Cg_exo -51.92 -32.3 46.93 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.457 1.438 . . . . 1.0600000000000001 111.715 174.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -70.92 -44.51 66.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.875 -0.602 . . . . 2.27 110.619 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.636 HD11 ' CG ' ' B' ' 70' ' ' GLN . 44.8 mt -61.16 -42.22 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-O 121.272 0.558 . . . . 1.3700000000000001 109.695 173.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.556 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 14.6 m-30 -67.83 -17.67 64.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.577 -0.738 . . . . 2.3700000000000001 110.108 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -74.35 -42.43 59.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.635 -0.711 . . . . 2.5099999999999998 109.49 175.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.03 -61.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.875 -0.602 . . . . 0.64000000000000001 112.349 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.89 -41.95 34.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.842 0.682 . . . . 0.98999999999999999 112.842 -169.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -61.69 -46.18 90.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.719 0.266 . . . . 1.55 111.719 -173.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 t -89.03 16.01 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.24 0.543 . . . . 2.3300000000000001 110.581 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -137.04 -163.02 9.58 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.475 -0.65 . . . . 2.5899999999999999 111.475 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.646 -0.692 . . . . 4.4000000000000004 110.045 -179.674 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.426 ' SD ' ' HA ' ' B' ' 81' ' ' THR . 51.6 ttm . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.723 0.297 . . . . 3.6800000000000002 110.412 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.42 85.54 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.053 -0.521 . . . . 2.3999999999999999 110.031 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 2.8 p-10 -87.28 -15.36 38.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.07 0.396 . . . . 2.52 112.07 -175.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 12.3 mptt -77.88 -32.46 51.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.929 0.395 . . . . 1.8999999999999999 110.644 -175.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.584 ' HE3' ' O ' ' A' ' 58' ' ' GLY . 20.2 ptmt -70.41 -45.81 65.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.551 -0.295 . . . . 1.49 110.716 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' O ' ' HD2' ' A' ' 23' ' ' TYR . 27.1 mtm180 -67.3 -23.17 65.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.589 0.709 . . . . 2.3399999999999999 109.442 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 5.5 tp -62.11 -60.98 2.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.941 -1.027 . . . . 0.69999999999999996 110.344 171.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.516 ' HB3' HG11 ' A' ' 59' ' ' VAL . . . -69.54 -35.09 75.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.033 0.383 . . . . 0.82999999999999996 112.033 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' HA ' ' HG1' ' A' ' 60' ' ' THR . 0.0 OUTLIER -54.82 -44.61 74.03 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.228 0.537 . . . . 2.9900000000000002 110.261 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . . . -72.36 -36.03 68.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.75 -0.659 . . . . 1.1399999999999999 110.891 -176.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.55 -42.77 93.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.719 -0.673 . . . . 0.96999999999999997 110.427 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.609 HD11 ' CD1' ' A' ' 53' ' ' LEU . 74.3 mt -59.22 -40.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.049 -0.523 . . . . 0.78000000000000003 111.009 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.39 -43.58 96.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.373 -0.376 . . . . 1.5800000000000001 111.029 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -72.49 -46.14 56.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 1.98 111.132 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.702 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.8 mp -60.37 -45.59 92.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.555 -0.293 . . . . 0.69999999999999996 110.687 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -56.46 -38.28 71.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 1.4099999999999999 110.34 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.68 -48.42 59.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.721 -0.672 . . . . 1.98 110.745 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 2.5 pt20 -65.45 -33.45 75.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.9199999999999999 110.5 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 45.4 mt -62.57 -47.34 84.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.718 0.294 . . . . 1.22 110.401 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.3 mmt-85 -68.79 -27.32 65.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.377 -0.374 . . . . 3.4900000000000002 110.89 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -87.33 3.68 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.398 -0.365 . . . . 2.6800000000000002 111.426 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.27 34.74 81.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.172 -0.537 . . . . 0.53000000000000003 113.114 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.49 -53.43 35.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.046 -0.597 . . . . 0.52000000000000002 111.975 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.74 151.94 20.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.579 -0.526 . . . . 0.82999999999999996 109.579 176.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 t -65.51 157.38 29.78 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 123.348 0.405 . . . . 1.4199999999999999 110.03 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 p -43.62 -49.13 7.72 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.92 1.082 . . . . 1.6299999999999999 113.92 -170.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.67 -52.91 62.38 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.951 0.405 . . . . 2.2000000000000002 110.925 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.86 79.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.779 -0.646 . . . . 0.54000000000000004 110.793 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.489 ' HA ' HD22 ' A' ' 33' ' ' LEU . 7.4 tt0 -59.29 -58.45 8.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.177 -0.92 . . . . 1.5600000000000001 110.562 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.583 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.0 mt-10 -65.3 -33.91 77.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.979 -0.555 . . . . 2.3599999999999999 110.659 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.9 t -64.68 -38.97 92.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.876 -0.602 . . . . 1.04 111.138 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.598 HD12 HD21 ' A' ' 33' ' ' LEU . 17.9 mt -61.6 -41.1 96.97 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.905 -0.318 . . . . 1.28 110.284 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 71.2 tt0 -67.41 -38.29 84.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 1.76 110.523 -178.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 44' ' ' GLU . 58.0 t -56.11 -51.31 63.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.337 0.589 . . . . 0.48999999999999999 109.424 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.603 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -57.51 -49.01 77.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.952 -1.022 . . . . 0.47999999999999998 110.975 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 29' ' ' LEU . 44.7 mt -53.64 -49.79 54.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.338 -0.847 . . . . 0.60999999999999999 111.495 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 14.4 mm100 -58.55 -43.83 89.42 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.226 0.536 . . . . 1.8400000000000001 110.651 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.6 m -65.34 -52.93 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.479 -0.782 . . . . 0.68999999999999995 111.02 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.609 ' CD1' HD11 ' A' ' 26' ' ' ILE . 2.9 pp -78.96 -20.44 49.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.757 0.651 . . . . 0.76000000000000001 112.757 -173.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.576 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 27.1 tt0 -67.83 -38.06 82.74 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.388 -0.597 . . . . 1.6499999999999999 109.388 177.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -73.98 -26.36 60.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.285 -0.871 . . . . 1.1599999999999999 110.904 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' B' ' 45' ' ' SER . . . -88.05 -44.48 10.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.043 0.757 . . . . 1.1499999999999999 113.043 -173.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -77.61 -17.52 57.71 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.354 -0.839 . . . . 2.0499999999999998 112.585 -164.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.584 ' O ' ' HE3' ' A' ' 19' ' ' LYS . . . 77.87 54.44 4.52 Favored Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 109.794 -1.322 . . . . 2.6000000000000001 109.794 -170.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.576 ' CG2' ' HA ' ' A' ' 54' ' ' GLU . 29.3 m -137.51 -144.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.348 -0.426 . . . . 1.3500000000000001 112.141 -166.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.594 ' HG1' ' HA ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -41.54 -167.24 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 118.465 2.765 . . . . 2.3799999999999999 118.465 -159.661 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.534 ' HA ' ' HB3' ' A' ' 64' ' ' SER . 7.9 p 9.61 -38.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 116.733 2.123 . . . . 2.21 116.733 -134.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.0 mm-40 -72.79 -59.33 2.76 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 122.674 1.226 . . . . 4.0099999999999998 109.102 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.546 ' HB2' ' C ' ' A' ' 59' ' ' VAL . 6.3 m-20 -77.98 6.46 7.75 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.229 -0.896 . . . . 3.6200000000000001 110.13 177.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.534 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 9.5 t -86.84 -22.87 25.54 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.622 -0.881 . . . . 2.9100000000000001 108.622 167.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 23.0 t70 -62.87 -36.77 84.38 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.375 -0.602 . . . . 3.46 109.375 171.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.53 HD21 ' OD2' ' A' ' 63' ' ' ASP . 3.9 pp -85.46 30.72 0.61 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 120.346 -0.542 . . . . 1.8700000000000001 111.627 174.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -48.23 153.43 0.71 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.315 1.228 . . . . 1.53 114.315 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.96 163.51 18.62 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 114.629 -1.169 . . . . 1.55 110.128 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -53.46 -51.77 10.15 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.938 2.425 . . . . 2.7400000000000002 113.771 -176.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -120.14 168.45 11.2 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.187 -0.301 . . . . 2.75 110.187 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.7 p -77.93 139.97 39.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.295 0.569 . . . . 1.55 110.228 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.673 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 4.1 mm? -68.83 -44.75 31.45 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.394 -0.821 . . . . 1.79 111.43 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.614 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 68.0 Cg_exo -47.11 -34.61 17.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.167 1.911 . . . . 1.0700000000000001 113.431 173.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.42 -48.05 74.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.086 0.47 . . . . 2.2799999999999998 109.944 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.506 HD12 HD13 ' A' ' 72' ' ' LEU . 81.2 mt -58.27 -38.25 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.464 0.649 . . . . 1.3799999999999999 109.768 174.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.673 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 14.6 m-30 -69.33 -27.53 65.45 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.41 -0.813 . . . . 2.3599999999999999 110.58 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 50.8 mt-10 -65.6 -26.56 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 2.52 110.04 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.85 -48.39 8.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.961 -0.563 . . . . 0.65000000000000002 111.226 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.23 39.66 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.659 0.614 . . . . 0.98999999999999999 112.659 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.0 -11.25 60.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.928 0.344 . . . . 1.5600000000000001 111.928 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.441 ' HA ' ' SD ' ' B' ' 15' ' ' MET . 18.5 p -90.8 -12.72 35.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.195 0.521 . . . . 2.3300000000000001 110.363 174.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.71 154.74 21.04 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.854 -0.612 . . . . 2.5899999999999999 111.694 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.229 -0.891 . . . . 4.4100000000000001 110.202 -178.321 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.441 ' SD ' ' HA ' ' A' ' 81' ' ' THR . 51.7 ttm . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.708 0.29 . . . . 3.6800000000000002 110.446 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -78.53 84.79 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.152 0.501 . . . . 2.4199999999999999 110.147 177.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 2.9 p-10 -86.01 -15.95 39.8 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.262 0.467 . . . . 2.52 112.262 -175.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 12.3 mptt -77.69 -32.59 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 1.8899999999999999 110.684 -175.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.615 ' HE3' ' O ' ' B' ' 58' ' ' GLY . 20.3 ptmt -70.18 -45.82 65.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.494 -0.321 . . . . 1.49 110.8 177.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.412 ' O ' ' HD2' ' B' ' 23' ' ' TYR . 27.1 mtm180 -67.4 -23.17 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.516 0.675 . . . . 2.3399999999999999 109.415 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.536 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 5.5 tp -62.05 -60.96 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.912 -1.04 . . . . 0.69999999999999996 110.487 171.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.539 ' HB3' HG11 ' B' ' 59' ' ' VAL . . . -69.62 -34.95 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.403 . . . . 0.82999999999999996 112.008 -175.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.674 ' HA ' ' HG1' ' B' ' 60' ' ' THR . 0.0 OUTLIER -54.88 -44.61 74.23 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.169 0.509 . . . . 2.9900000000000002 110.272 179.391 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' B' ' 72' ' ' LEU . . . -72.29 -36.21 68.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.749 -0.66 . . . . 1.1399999999999999 110.914 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.58 -42.75 93.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.695 -0.684 . . . . 0.96999999999999997 110.363 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.612 HD11 ' CD1' ' B' ' 53' ' ' LEU . 74.8 mt -59.15 -40.84 81.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.116 -0.493 . . . . 0.78000000000000003 110.983 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.43 -43.38 96.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 1.5800000000000001 111.098 177.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -72.53 -46.14 55.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.253 -0.43 . . . . 1.98 111.158 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.696 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 8.8 mp -60.42 -45.55 93.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.578 -0.283 . . . . 0.69999999999999996 110.636 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -56.51 -38.27 71.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.984 0.421 . . . . 1.4099999999999999 110.293 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.77 -48.4 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 1.98 110.713 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' B' ' 29' ' ' LEU . 2.6 pt20 -65.57 -33.23 75.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 1.9299999999999999 110.484 -178.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 29' ' ' LEU . 44.8 mt -62.82 -47.11 84.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.514 -0.312 . . . . 1.22 110.369 178.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -68.76 -27.41 65.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 3.5 110.864 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -87.38 3.52 46.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 2.6899999999999999 111.373 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.54 34.66 79.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.232 -0.509 . . . . 0.53000000000000003 113.065 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.6 -53.42 35.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.07 -0.586 . . . . 0.53000000000000003 111.941 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.82 151.84 20.4 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.497 -0.557 . . . . 0.82999999999999996 109.497 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.7 t -65.51 157.37 29.79 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.414 0.446 . . . . 1.4199999999999999 109.892 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 6.2 p -43.5 -49.23 7.38 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.925 1.083 . . . . 1.6299999999999999 113.925 -170.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -61.63 -53.02 61.82 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.026 0.441 . . . . 2.21 110.929 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.75 78.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.715 -0.675 . . . . 0.54000000000000004 110.775 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.485 ' HA ' HD22 ' B' ' 33' ' ' LEU . 7.4 tt0 -59.54 -58.12 9.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.156 -0.929 . . . . 1.5700000000000001 110.64 -177.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 48' ' ' VAL . 41.0 mt-10 -65.51 -34.03 77.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.992 -0.549 . . . . 2.3599999999999999 110.586 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 56' ' ' ALA . 11.1 t -64.62 -38.81 92.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.891 -0.595 . . . . 1.04 111.164 -177.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.613 HD12 HD21 ' B' ' 33' ' ' LEU . 17.9 mt -61.75 -41.07 97.19 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.874 -0.33 . . . . 1.28 110.261 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 70.8 tt0 -67.38 -38.34 84.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.259 -0.428 . . . . 1.75 110.564 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 44' ' ' GLU . 58.7 t -55.99 -51.34 62.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.415 -0.587 . . . . 0.48999999999999999 109.415 173.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.615 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -57.51 -49.2 77.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.99 -1.005 . . . . 0.47999999999999998 110.955 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.45 HD11 ' HB3' ' B' ' 29' ' ' LEU . 45.2 mt -53.39 -49.91 51.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.333 -0.849 . . . . 0.62 111.514 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 14.5 mm100 -58.5 -43.89 89.22 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.15 0.5 . . . . 1.8400000000000001 110.647 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 58.5 m -65.19 -52.99 51.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.518 -0.765 . . . . 0.68999999999999995 111.117 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 2.9 pp -78.88 -20.55 49.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 112.732 0.641 . . . . 0.76000000000000001 112.732 -173.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.595 ' HA ' ' CG2' ' B' ' 59' ' ' VAL . 27.3 tt0 -67.85 -37.85 82.38 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.399 -0.593 . . . . 1.6599999999999999 109.399 177.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -74.34 -26.03 59.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.323 -0.853 . . . . 1.1499999999999999 110.894 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' B' ' 53' ' ' LEU . . . -88.16 -44.64 10.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.935 0.717 . . . . 1.1399999999999999 112.935 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' B' ' 53' ' ' LEU . 0.2 OUTLIER -77.63 -18.1 57.1 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.344 -0.844 . . . . 2.0600000000000001 112.732 -164.801 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLY . . . . . 0.615 ' O ' ' HE3' ' B' ' 19' ' ' LYS . . . 77.74 56.04 3.98 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 110.266 -1.133 . . . . 2.6000000000000001 110.266 -171.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.595 ' CG2' ' HA ' ' B' ' 54' ' ' GLU . 35.6 m -139.51 -150.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 C-N-CA 124.855 1.262 . . . . 1.3500000000000001 110.613 -161.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' THR . . . . . 0.674 ' HG1' ' HA ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -50.59 -160.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 128.641 2.777 . . . . 2.3799999999999999 114.775 -153.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.677 ' HA ' ' HB3' ' B' ' 64' ' ' SER . 14.5 p -18.34 -17.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 118.165 2.654 . . . . 2.21 118.165 -114.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' B' ' 65' ' ' ASP . 29.0 mm-40 -75.77 -58.57 3.2 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 120.577 1.535 . . . . 4.0 109.377 167.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.534 ' OD2' HD21 ' B' ' 66' ' ' LEU . 6.4 m-20 -77.22 4.47 10.44 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.289 -0.868 . . . . 3.6200000000000001 110.139 177.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.677 ' HB3' ' HA ' ' B' ' 61' ' ' VAL . 9.2 t -85.53 -23.29 27.77 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.748 -0.834 . . . . 2.9199999999999999 108.748 168.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' B' ' 62' ' ' GLU . 22.9 t70 -62.23 -36.89 83.36 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.574 -0.528 . . . . 3.46 109.574 170.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.534 HD21 ' OD2' ' B' ' 63' ' ' ASP . 3.9 pp -84.46 28.13 0.67 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 120.644 -0.422 . . . . 1.8700000000000001 112.052 174.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' B' ' 64' ' ' SER . . . -46.23 153.05 0.36 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.581 1.326 . . . . 1.54 114.581 -175.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 82.1 mt -98.97 163.4 18.82 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 114.554 -1.203 . . . . 1.5600000000000001 110.194 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -54.02 -50.28 14.19 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.746 2.298 . . . . 2.75 113.997 -175.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -121.14 168.06 11.98 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 110.093 -0.336 . . . . 2.7599999999999998 110.093 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 36.6 p -77.62 143.53 38.17 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.323 0.582 . . . . 1.55 109.853 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.67 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 4.1 mm? -71.72 -44.52 12.15 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.377 -0.829 . . . . 1.79 111.15 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.599 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 67.4 Cg_exo -46.89 -34.87 17.06 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.298 1.999 . . . . 1.0600000000000001 113.333 173.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.41 -47.85 74.86 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.134 0.492 . . . . 2.27 110.082 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.52 HD12 HD13 ' B' ' 72' ' ' LEU . 81.2 mt -58.42 -38.27 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.505 0.669 . . . . 1.3700000000000001 109.694 174.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.67 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 14.5 m-30 -69.35 -27.38 65.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.372 -0.831 . . . . 2.3700000000000001 110.602 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.599 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 50.5 mt-10 -65.74 -26.5 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 2.5099999999999998 110.011 176.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.72 -48.74 8.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.91 -0.586 . . . . 0.64000000000000001 111.215 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.39 -46.49 39.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.633 0.605 . . . . 0.98999999999999999 112.633 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.23 -12.33 60.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.978 0.362 . . . . 1.55 111.978 -172.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.426 ' HA ' ' SD ' ' A' ' 15' ' ' MET . 19.2 p -90.07 -12.57 38.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.12 0.486 . . . . 2.3300000000000001 110.491 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.68 155.08 21.14 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.869 -0.605 . . . . 2.5899999999999999 111.644 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 tttm . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.389 -0.815 . . . . 4.4000000000000004 110.069 -178.506 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.8 ptp . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.704 0.288 . . . . 3.6800000000000002 110.309 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -87.04 133.94 33.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.551 . . . . 2.3999999999999999 110.489 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 64.2 t30 -82.14 -25.44 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.989 -0.551 . . . . 2.52 111.068 -177.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HA ' HD23 ' A' ' 21' ' ' LEU . 45.7 mmtm -67.93 -47.35 68.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.433 -0.348 . . . . 1.8999999999999999 111.398 -173.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -42.1 87.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.334 -0.394 . . . . 1.49 110.933 177.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.471 ' HA ' ' OD1' ' A' ' 63' ' ' ASP . 65.7 mtp180 -73.58 -42.56 61.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.073 0.463 . . . . 2.3399999999999999 111.118 -176.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.615 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -56.89 -49.72 74.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.61 0.719 . . . . 0.69999999999999996 110.0 176.337 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.615 ' N ' ' HG ' ' A' ' 21' ' ' LEU . . . -77.91 -14.06 59.68 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.344 -0.843 . . . . 0.82999999999999996 110.867 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.494 ' O ' ' HB ' ' A' ' 26' ' ' ILE . 9.0 t80 -61.0 -43.87 98.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.329 0.585 . . . . 2.9900000000000002 109.8 170.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.9 67.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.189 0.519 . . . . 1.1399999999999999 109.932 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' A' ' 22' ' ' ALA . 49.4 mt -63.4 -34.35 66.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.483 -0.781 . . . . 0.96999999999999997 110.117 172.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.776 HD11 ' C ' ' A' ' 58' ' ' GLY . 77.5 mt -55.71 -53.8 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.402 -0.363 . . . . 0.78000000000000003 110.72 175.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -53.17 -46.57 68.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.66 -0.7 . . . . 1.5800000000000001 111.654 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.426 ' CE2' ' HE2' ' B' ' 18' ' ' LYS . 54.7 t80 -73.87 -50.2 21.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.417 -0.356 . . . . 1.98 111.168 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.0 mp -65.3 -29.93 70.74 Favored 'General case' 0 C--O 1.222 -0.345 0 N-CA-C 111.719 0.266 . . . . 0.69999999999999996 111.719 -176.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.83 -45.79 77.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.409 . . . . 1.4099999999999999 110.107 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.31 -44.59 75.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.419 0.628 . . . . 1.98 110.176 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 29' ' ' LEU . 11.7 tt0 -57.01 -46.48 82.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.782 -1.099 . . . . 1.9199999999999999 111.473 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -64.25 -42.16 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 1.22 110.244 -177.475 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.02 -28.33 68.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 3.4900000000000002 111.007 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -86.85 -11.36 51.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.169 -0.468 . . . . 2.6800000000000002 110.769 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.426 ' HA2' ' NE2' ' A' ' 43' ' ' GLN . . . 74.63 41.74 34.53 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.888 -0.673 . . . . 0.53000000000000003 111.947 -177.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.94 -44.26 97.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.185 -0.531 . . . . 0.52000000000000002 113.187 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.535 ' HG ' ' HB1' ' B' ' 56' ' ' ALA . 4.2 mm? -93.55 -174.42 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.004 0.43 . . . . 0.82999999999999996 111.785 -178.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 m -69.15 167.2 16.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.586 -0.733 . . . . 1.4199999999999999 111.151 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 p -59.28 -55.79 30.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.599 0.592 . . . . 1.6299999999999999 112.599 -172.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.35 -43.29 95.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.935 0.398 . . . . 2.2000000000000002 110.612 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.619 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -59.49 -39.6 84.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.691 -0.686 . . . . 0.54000000000000004 110.841 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.467 ' O ' HD21 ' A' ' 33' ' ' LEU . 59.7 tt0 -55.71 -56.63 18.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 1.5600000000000001 111.17 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.97 -33.15 73.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.425 0.631 . . . . 2.3599999999999999 110.206 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.469 ' HB3' ' SG ' ' B' ' 52' ' ' CYS . 44.1 m -72.55 -40.97 66.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.29 -0.868 . . . . 1.04 111.602 -177.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 23.4 mt -58.88 -33.4 70.46 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 121.03 -0.268 . . . . 1.28 110.352 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.35 -51.8 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.849 -0.426 . . . . 1.76 109.849 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.2 t -56.63 -42.34 76.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.996 -0.547 . . . . 0.48999999999999999 110.138 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.716 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -58.06 -42.9 86.46 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.475 -0.784 . . . . 0.47999999999999998 110.439 176.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 46' ' ' LEU . 73.6 mt -61.46 -34.31 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.60999999999999999 111.424 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 1.8 mp0 -63.54 -46.02 87.92 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.872 0.844 . . . . 1.8400000000000001 109.876 174.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' B' ' 45' ' ' SER . 31.1 m -60.34 -42.75 96.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.903 -1.044 . . . . 0.68999999999999995 109.988 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 57.5 mt -64.64 -39.11 93.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.064 -0.971 . . . . 0.76000000000000001 110.049 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HB3' ' O ' ' A' ' 51' ' ' GLN . 43.5 tt0 -50.33 -27.98 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.151 0.58 . . . . 1.6499999999999999 111.634 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 m -83.36 -51.08 7.71 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.325 -0.55 . . . . 1.1599999999999999 112.126 172.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.52 ' HB1' ' HG ' ' B' ' 38' ' ' LEU . . . -104.05 -43.71 5.2 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.957 1.836 . . . . 1.1499999999999999 115.957 -169.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.492 ' O ' ' HB3' ' A' ' 53' ' ' LEU . 19.4 t80 -153.02 66.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.923 0.392 . . . . 2.0499999999999998 111.569 -150.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.776 ' C ' HD11 ' A' ' 26' ' ' ILE . . . 112.92 47.92 0.64 Allowed Glycine 0 C--N 1.292 -1.87 0 N-CA-C 105.95 -2.86 . . . . 2.6000000000000001 105.95 -158.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.493 ' N ' HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -74.16 -167.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-N 108.495 -3.853 . . . . 1.3500000000000001 114.709 -168.25 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 p -71.86 179.03 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 2.3799999999999999 111.462 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 64' ' ' SER . 13.5 p -75.47 -5.81 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.44 0.638 . . . . 2.21 110.846 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.47 -37.3 85.41 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.622 0.725 . . . . 4.0099999999999998 109.262 173.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.471 ' OD1' ' HA ' ' A' ' 20' ' ' ARG . 8.2 t70 -66.2 -27.5 68.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.092 -0.958 . . . . 3.6200000000000001 109.758 177.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 15.0 t -64.6 -27.87 69.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 2.9100000000000001 109.966 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -67.04 -42.15 85.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.418 . . . . 3.46 110.135 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.02 33.48 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.403 -0.362 . . . . 1.8700000000000001 110.903 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.28 159.23 3.65 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.138 0.792 . . . . 1.53 113.138 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.8 mt -81.3 149.16 65.03 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.268 -0.878 . . . . 1.55 110.666 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.77 -23.64 76.95 Favored 'Trans proline' 0 N--CA 1.476 0.456 0 C-N-CA 124.175 3.25 . . . . 2.7400000000000002 114.044 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.585 HE21 ' HA ' ' B' ' 80' ' ' ALA . 17.2 pt20 -128.93 156.05 44.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.993 -0.373 . . . . 2.75 109.993 -173.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 p -79.21 134.69 36.67 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.773 -0.825 . . . . 1.55 108.773 170.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.631 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 4.4 mm? -80.61 -44.16 1.31 Allowed Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 115.796 -0.638 . . . . 1.79 112.549 -173.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.568 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 75.6 Cg_exo -47.87 -35.0 23.45 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.897 1.732 . . . . 1.0700000000000001 113.292 173.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.28 -41.82 80.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 2.2799999999999998 110.203 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 75' ' ' ILE . 27.3 mm -61.52 -40.04 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.714 -0.675 . . . . 1.3799999999999999 110.531 175.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.631 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 13.0 m-30 -61.72 -33.64 74.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.612 -0.722 . . . . 2.3599999999999999 110.477 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -71.36 -31.44 67.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.152 -0.477 . . . . 2.52 111.157 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.85 -64.04 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.202 0.445 . . . . 0.65000000000000002 112.202 -175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.35 93.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.876 0.369 . . . . 0.98999999999999999 111.933 -171.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.62 ' HA ' ' NE2' ' B' ' 70' ' ' GLN . . . -72.93 -13.52 61.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 1.5600000000000001 112.15 -173.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.1 t -107.49 -4.7 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.829 -0.348 . . . . 2.3300000000000001 110.789 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.78 120.45 0.81 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.878 -0.677 . . . . 2.5899999999999999 112.041 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.671 -0.681 . . . . 4.4100000000000001 110.473 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.933 0.397 . . . . 3.6800000000000002 110.424 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -86.71 133.92 33.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 2.4199999999999999 110.57 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 64.4 t30 -82.11 -25.57 34.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.013 -0.54 . . . . 2.52 111.104 -177.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.443 ' HA ' HD23 ' B' ' 21' ' ' LEU . 45.6 mmtm -67.85 -47.45 68.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.519 -0.309 . . . . 1.8899999999999999 111.303 -172.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -42.23 87.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.32 -0.4 . . . . 1.49 110.937 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 65.4 mtp180 -73.33 -42.86 61.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.17 0.51 . . . . 2.3399999999999999 111.201 -176.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.637 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 0.1 OUTLIER -56.67 -49.79 74.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.722 0.772 . . . . 0.69999999999999996 110.068 176.403 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.637 ' N ' ' HG ' ' B' ' 21' ' ' LEU . . . -77.71 -14.99 59.45 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.223 -0.899 . . . . 0.82999999999999996 110.807 -175.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.496 ' O ' ' HB ' ' B' ' 26' ' ' ILE . 9.1 t80 -60.18 -43.93 95.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.277 0.561 . . . . 2.9900000000000002 109.856 170.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.99 67.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.295 0.569 . . . . 1.1399999999999999 109.937 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' B' ' 22' ' ' ALA . 48.8 mt -63.5 -34.37 67.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.308 -0.86 . . . . 0.96999999999999997 110.08 172.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.678 HD11 ' C ' ' B' ' 58' ' ' GLY . 77.4 mt -55.67 -53.72 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.366 -0.379 . . . . 0.78000000000000003 110.716 175.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -53.2 -46.6 69.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.812 -0.631 . . . . 1.5800000000000001 111.672 -175.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -73.9 -50.12 21.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.376 . . . . 1.98 111.228 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.536 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.0 mp -65.26 -29.91 70.73 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 111.827 0.306 . . . . 0.69999999999999996 111.827 -176.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -66.81 -45.87 76.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.982 0.42 . . . . 1.4099999999999999 110.124 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -68.33 -44.59 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 1.98 110.064 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.407 ' HB3' ' HA ' ' B' ' 29' ' ' LEU . 11.7 tt0 -56.94 -46.65 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.902 -1.045 . . . . 1.9299999999999999 111.431 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.5 OUTLIER -64.18 -42.26 96.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.865 -0.607 . . . . 1.22 110.224 -177.379 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.0 -28.27 68.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 3.5 110.935 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -86.74 -11.59 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.149 0.499 . . . . 2.6899999999999999 110.83 -178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLY . . . . . 0.44 ' HA2' ' NE2' ' B' ' 43' ' ' GLN . . . 74.64 42.02 33.6 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.952 -0.642 . . . . 0.53000000000000003 111.949 -177.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.96 -44.39 97.22 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.231 -0.509 . . . . 0.53000000000000003 113.095 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.52 ' HG ' ' HB1' ' A' ' 56' ' ' ALA . 4.2 mm? -93.3 -174.09 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.124 0.488 . . . . 0.82999999999999996 111.777 -178.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m -69.58 167.19 17.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.501 -0.772 . . . . 1.4199999999999999 111.158 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.3 p -59.53 -55.43 34.62 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.635 0.606 . . . . 1.6299999999999999 112.635 -172.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.71 -43.28 93.98 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.886 0.374 . . . . 2.21 110.487 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.603 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -59.41 -39.64 84.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.81 -0.632 . . . . 0.54000000000000004 110.828 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.464 ' O ' HD21 ' B' ' 33' ' ' LEU . 59.9 tt0 -55.61 -56.63 18.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 1.5700000000000001 111.147 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -62.25 -32.83 73.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.499 0.666 . . . . 2.3599999999999999 110.247 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' SER . . . . . 0.467 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 45.8 m -72.66 -41.08 65.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.227 -0.897 . . . . 1.04 111.525 -177.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 23.1 mt -58.83 -33.37 70.32 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 121.003 -0.279 . . . . 1.28 110.335 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.42 -51.76 68.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.769 -0.456 . . . . 1.75 109.769 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.6 t -56.65 -42.45 76.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.954 -0.566 . . . . 0.48999999999999999 110.114 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.727 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -57.96 -42.81 85.74 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.504 -0.771 . . . . 0.47999999999999998 110.495 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.541 HG13 ' O ' ' B' ' 46' ' ' LEU . 73.7 mt -61.57 -34.13 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.62 111.469 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' B' ' 54' ' ' GLU . 1.8 mp0 -63.71 -46.05 87.19 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.866 0.841 . . . . 1.8400000000000001 109.913 174.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 45' ' ' SER . 30.5 m -60.13 -42.92 95.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.934 -1.03 . . . . 0.68999999999999995 109.984 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 57.8 mt -64.4 -39.42 93.82 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.055 -0.975 . . . . 0.76000000000000001 109.905 176.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.446 ' C ' ' HA ' ' B' ' 59' ' ' VAL . 43.1 tt0 -50.02 -28.09 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.135 0.574 . . . . 1.6599999999999999 111.612 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.41 ' O ' HG12 ' B' ' 59' ' ' VAL . 8.5 m -82.36 -56.38 3.93 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.185 -0.606 . . . . 1.1499999999999999 111.755 171.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.535 ' HB1' ' HG ' ' A' ' 38' ' ' LEU . . . -94.61 -45.73 7.26 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 117.658 2.466 . . . . 1.1399999999999999 117.658 -171.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.429 ' HB3' HD22 ' B' ' 53' ' ' LEU . 11.4 t80 -148.12 49.25 1.05 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 115.28 1.585 . . . . 2.0600000000000001 115.28 -141.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLY . . . . . 0.678 ' C ' HD11 ' B' ' 26' ' ' ILE . . . 109.32 58.33 0.53 Allowed Glycine 0 CA--C 1.475 -2.433 0 N-CA-C 106.425 -2.67 . . . . 2.6000000000000001 106.425 -148.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.561 ' N ' HD11 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -87.69 -169.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.213 1 CA-C-N 106.007 -5.096 . . . . 1.3500000000000001 112.661 -167.022 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 36.2 p -69.73 179.02 2.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.364 0.602 . . . . 2.3799999999999999 111.748 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' B' ' 64' ' ' SER . 13.7 p -75.11 -6.05 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.398 0.618 . . . . 2.21 110.927 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.39 -37.2 84.85 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.676 0.751 . . . . 4.0 109.368 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.455 ' OD1' ' HA ' ' B' ' 20' ' ' ARG . 8.3 t70 -66.19 -27.62 68.13 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.092 -0.958 . . . . 3.6200000000000001 109.697 177.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' B' ' 61' ' ' VAL . 14.1 t -64.49 -27.93 69.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.892 -0.595 . . . . 2.9199999999999999 110.035 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -66.91 -41.87 86.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 3.46 110.18 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.02 29.35 4.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.234 -0.439 . . . . 1.8700000000000001 111.207 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.27 159.26 1.38 Allowed 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.366 0.876 . . . . 1.54 113.366 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 61.2 mt -81.62 149.16 63.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.21 -0.905 . . . . 1.5600000000000001 110.802 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.98 -23.19 76.87 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.009 3.139 . . . . 2.75 114.281 -176.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLN . . . . . 0.62 ' NE2' ' HA ' ' A' ' 80' ' ' ALA . 17.3 pt20 -129.07 156.16 44.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.964 -0.384 . . . . 2.7599999999999998 109.964 -173.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 16.4 p -79.36 140.29 37.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.836 -1.172 . . . . 1.55 107.836 170.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.638 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 4.4 mm? -83.93 -44.56 0.78 Allowed Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.666 -0.697 . . . . 1.79 112.487 -173.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' B' ' 76' ' ' PHE . 75.5 Cg_exo -47.74 -35.31 23.34 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.0 1.8 . . . . 1.0600000000000001 113.157 173.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.14 -41.59 81.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.144 0.497 . . . . 2.27 110.31 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 27.4 mm -61.78 -39.92 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 1.3700000000000001 110.495 175.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.638 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 12.9 m-30 -61.77 -33.54 74.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.628 -0.715 . . . . 2.3700000000000001 110.531 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -71.24 -32.54 68.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.191 -0.459 . . . . 2.5099999999999998 111.078 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.25 -64.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.605 0.594 . . . . 0.64000000000000001 112.605 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.02 -39.51 93.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.248 -0.433 . . . . 0.98999999999999999 111.871 -171.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.585 ' HA ' HE21 ' A' ' 70' ' ' GLN . . . -72.89 -13.59 61.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.193 -0.458 . . . . 1.55 112.045 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.2 t -107.4 -4.59 18.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.79 0.329 . . . . 2.3300000000000001 110.73 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.98 120.3 0.8 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.821 -0.704 . . . . 2.5899999999999999 112.06 -178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.748 -0.644 . . . . 4.4000000000000004 110.446 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 109.849 -0.426 . . . . 3.6800000000000002 109.849 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 7.7 m-20 -112.05 76.92 1.0 Allowed 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.139 -0.689 . . . . 2.3999999999999999 109.139 175.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 29.6 p-10 -85.44 -18.32 33.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.353 -0.385 . . . . 2.52 110.845 -177.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HD2' ' CZ ' ' B' ' 28' ' ' PHE . 31.0 mmtp -71.53 -39.63 70.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.386 -0.37 . . . . 1.8999999999999999 110.047 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.558 ' HE3' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -69.0 -20.32 64.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 1.49 110.353 174.36 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.672 ' O ' ' HB3' ' A' ' 23' ' ' TYR . 12.3 mtt180 -85.04 -13.24 51.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 2.3399999999999999 110.477 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.542 ' O ' HG12 ' A' ' 25' ' ' ILE . 14.1 tp -75.16 -35.11 61.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.985 -0.746 . . . . 0.69999999999999996 108.985 170.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.715 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -62.13 -33.64 74.86 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.534 -0.543 . . . . 0.82999999999999996 109.534 172.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.968 ' CE1' ' HB2' ' A' ' 62' ' ' GLU . 62.7 t80 -50.35 -50.25 51.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.274 -0.875 . . . . 2.9900000000000002 109.406 172.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' A' ' 72' ' ' LEU . . . -56.62 -47.02 80.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.276 -0.874 . . . . 1.1399999999999999 111.453 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 21' ' ' LEU . 9.7 mm -67.75 -55.46 16.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.075 -0.966 . . . . 0.96999999999999997 110.214 -172.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.5 HG22 HG23 ' A' ' 61' ' ' VAL . 45.0 mt -64.98 -38.25 82.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.114 -0.494 . . . . 0.78000000000000003 110.586 -176.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -62.22 -49.15 76.87 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.653 0.263 . . . . 1.5800000000000001 111.139 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' HB2' ' HG3' ' A' ' 73' ' ' PRO . 13.3 t80 -64.2 -56.14 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.259 0.552 . . . . 1.98 110.294 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.674 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.5 mp -60.88 -32.68 72.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.039 -0.982 . . . . 0.69999999999999996 111.662 -176.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -55.75 -58.25 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.114 0.483 . . . . 1.4099999999999999 111.1 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.68 -36.72 59.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.131 -0.486 . . . . 1.98 111.123 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.03 -34.03 74.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.995 0.426 . . . . 1.9199999999999999 110.121 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.674 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.46 -50.66 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.734 -0.667 . . . . 1.22 109.718 176.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 4.9 tpm_? -64.41 -31.52 72.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.63 -0.714 . . . . 3.4900000000000002 111.151 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -82.17 -12.18 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.964 0.412 . . . . 2.6800000000000002 111.057 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.69 37.71 67.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.036 -0.602 . . . . 0.53000000000000003 112.134 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 -32.44 81.91 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.257 -0.497 . . . . 0.52000000000000002 112.783 -177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.586 HD23 HD11 ' A' ' 46' ' ' LEU . 3.7 mm? -111.57 152.53 27.47 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.983 -0.377 . . . . 0.82999999999999996 109.983 177.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.2 t -71.68 171.22 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 1.4199999999999999 110.118 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 m -42.49 -57.42 2.65 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.632 0.975 . . . . 1.6299999999999999 113.632 -169.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.85 -42.24 95.05 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.138 0.494 . . . . 2.2000000000000002 111.252 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 38' ' ' LEU . . . -71.97 -35.28 69.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.033 -0.531 . . . . 0.54000000000000004 111.019 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.528 ' O ' HD21 ' A' ' 33' ' ' LEU . 9.0 tt0 -63.83 -52.68 59.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 1.5600000000000001 110.662 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.32 -27.81 69.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.959 0.409 . . . . 2.3599999999999999 110.436 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.3 m -67.53 -31.01 70.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 1.04 111.065 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.586 HD11 HD23 ' A' ' 38' ' ' LEU . 33.7 mt -63.57 -46.63 85.03 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.481 -0.563 . . . . 1.28 109.481 176.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 43.1 tt0 -58.52 -45.3 89.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 1.76 110.938 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.1 -42.54 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.48999999999999999 110.41 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.64 94.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.47999999999999998 110.82 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 46' ' ' LEU . 75.6 mt -55.68 -48.46 77.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 0.60999999999999999 110.552 176.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 31.3 mm-40 -62.12 -40.27 95.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.55 . . . . 1.8400000000000001 110.896 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.0 m -68.65 -46.64 68.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.9 -0.591 . . . . 0.68999999999999995 111.269 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 85.3 mt -69.38 -28.49 66.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.686 -0.234 . . . . 0.76000000000000001 111.175 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 1.7 tm-20 -58.17 -49.82 75.69 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.505 -0.554 . . . . 1.6499999999999999 109.505 173.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.7 m -68.79 -34.78 76.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.715 -0.675 . . . . 1.1599999999999999 110.766 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HA ' ' HB1' ' B' ' 42' ' ' ALA . . . -58.2 -67.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.6 -0.727 . . . . 1.1499999999999999 112.034 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.715 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 98.4 m-85 -83.51 -9.25 59.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.022 0.439 . . . . 2.0499999999999998 111.81 -173.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.36 45.02 20.3 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.884 -0.674 . . . . 2.6000000000000001 112.429 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.629 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 5.3 m -125.43 172.75 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-O 121.691 0.758 . . . . 1.3500000000000001 111.646 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.575 ' OG1' ' HB2' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -90.02 -170.18 2.69 Favored 'General case' 0 N--CA 1.432 -1.345 0 N-CA-C 107.019 -1.475 . . . . 2.3799999999999999 107.019 159.665 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.5 HG23 HG22 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -52.86 -59.78 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 118.76 0.709 . . . . 2.21 112.548 -177.771 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.968 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -149.92 7.29 0.63 Allowed 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 123.456 1.598 . . . . 4.0099999999999998 107.911 -179.543 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.575 ' HB2' ' OG1' ' A' ' 60' ' ' THR . 8.9 t70 -31.61 -86.87 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 110.203 -3.181 . . . . 3.6200000000000001 113.912 -134.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.7 t -123.57 -40.08 2.37 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.69 -0.804 . . . . 2.9100000000000001 110.274 171.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -54.7 -26.87 36.51 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.25 -0.886 . . . . 3.46 111.578 -169.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.931 HD12 ' HB2' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -125.32 14.56 8.31 Favored 'General case' 0 N--CA 1.425 -1.704 0 C-N-CA 119.968 -0.693 . . . . 1.8700000000000001 110.739 -173.179 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . . . -64.63 119.86 11.31 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.712 -0.676 . . . . 1.53 110.639 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 66' ' ' LEU . 95.8 mt -114.48 153.93 46.59 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.518 -0.765 . . . . 1.55 110.631 -173.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -42.45 -50.66 5.54 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 124.013 3.142 . . . . 2.7400000000000002 113.524 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -123.42 178.14 5.3 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.553 -0.536 . . . . 2.75 109.553 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 49.9 p -85.01 140.48 31.0 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.441 0.639 . . . . 1.55 110.212 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.701 HD13 HD12 ' A' ' 75' ' ' ILE . 4.2 mm? -70.53 -36.28 5.5 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.131 -0.941 . . . . 1.79 112.625 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 72' ' ' LEU . 1.8 Cg_endo -48.2 -43.11 32.25 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 121.828 1.686 . . . . 1.0700000000000001 112.057 172.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.56 -43.56 89.46 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.122 0.487 . . . . 2.2799999999999998 110.461 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.701 HD12 HD13 ' A' ' 72' ' ' LEU . 66.4 mt -59.5 -36.19 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.813 -0.63 . . . . 1.3799999999999999 110.186 176.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -75.46 -22.13 57.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.937 -0.574 . . . . 2.3599999999999999 110.959 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 44.1 mt-10 -71.71 -17.98 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.827 -0.434 . . . . 2.52 109.827 173.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.72 -44.89 9.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.871 -0.604 . . . . 0.65000000000000002 110.779 171.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.15 -54.14 4.81 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.083 0.772 . . . . 0.98999999999999999 113.083 -172.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.602 ' HA ' HD11 ' B' ' 72' ' ' LEU . . . -70.17 -13.25 62.11 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.1 0.476 . . . . 1.5600000000000001 111.683 -173.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.0 m -81.1 -16.22 53.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.819 -0.628 . . . . 2.3300000000000001 110.463 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.57 116.89 0.83 Allowed Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.762 -0.653 . . . . 2.5899999999999999 111.524 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.581 -0.724 . . . . 4.4100000000000001 110.11 -179.183 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.406 ' SD ' ' N ' ' B' ' 15' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.684 -0.487 . . . . 3.6800000000000002 109.684 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 6.5 m-20 -112.04 77.33 1.03 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.044 -0.724 . . . . 2.4199999999999999 109.044 175.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 29.5 p-10 -85.48 -18.55 33.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.172 -0.467 . . . . 2.52 110.786 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 31.0 mmtp -71.41 -39.68 70.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.426 -0.352 . . . . 1.8899999999999999 110.147 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.578 ' HE3' ' CG1' ' B' ' 59' ' ' VAL . 0.0 OUTLIER -68.98 -20.42 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 1.49 110.42 174.385 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.689 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 12.1 mtt180 -84.09 -15.27 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.255 0.55 . . . . 2.3399999999999999 110.413 175.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.542 ' O ' HG12 ' B' ' 25' ' ' ILE . 14.1 tp -73.73 -35.29 65.05 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.149 -0.686 . . . . 0.69999999999999996 109.149 170.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.7 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -62.15 -33.62 74.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.578 -0.527 . . . . 0.82999999999999996 109.578 172.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.973 ' CE1' ' HB2' ' B' ' 62' ' ' GLU . 62.8 t80 -50.37 -50.15 52.26 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.196 -0.911 . . . . 2.9900000000000002 109.388 172.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' B' ' 72' ' ' LEU . . . -56.7 -47.05 80.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.318 -0.855 . . . . 1.1399999999999999 111.371 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.542 HG12 ' O ' ' B' ' 21' ' ' LEU . 9.7 mm -67.72 -55.34 17.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.086 -0.961 . . . . 0.96999999999999997 110.264 -172.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.523 HG22 HG23 ' B' ' 61' ' ' VAL . 44.7 mt -65.1 -38.25 82.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.106 -0.497 . . . . 0.78000000000000003 110.561 -176.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -62.09 -49.19 76.93 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.834 0.35 . . . . 1.5800000000000001 111.167 176.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.463 ' HB2' ' HG3' ' B' ' 73' ' ' PRO . 13.2 t80 -64.31 -56.15 16.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.23 0.538 . . . . 1.98 110.324 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.673 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.5 mp -60.75 -32.89 72.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.159 -0.928 . . . . 0.69999999999999996 111.662 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -55.59 -58.34 8.19 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.184 0.516 . . . . 1.4099999999999999 111.039 178.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.6 -36.72 60.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.113 -0.494 . . . . 1.98 111.13 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -61.05 -34.13 74.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.043 0.449 . . . . 1.9299999999999999 110.146 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.673 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -64.42 -50.6 66.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.665 -0.698 . . . . 1.22 109.702 176.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.483 ' HA ' ' NE ' ' B' ' 34' ' ' ARG . 4.9 tpm_? -64.42 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.529 -0.76 . . . . 3.5 111.071 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -82.5 -11.88 58.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 2.6899999999999999 111.048 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.5 37.69 69.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.122 -0.561 . . . . 0.53000000000000003 112.073 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.85 -32.46 81.95 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.299 -0.477 . . . . 0.53000000000000003 112.678 -177.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.601 HD23 HD11 ' B' ' 46' ' ' LEU . 3.7 mm? -111.67 152.67 27.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.891 -0.411 . . . . 0.82999999999999996 109.891 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.8 t -71.73 171.09 12.2 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.295 -0.412 . . . . 1.4199999999999999 110.11 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 8.8 m -42.52 -57.36 2.69 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.815 1.042 . . . . 1.6299999999999999 113.815 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.94 -42.11 94.93 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.005 0.431 . . . . 2.21 111.218 -175.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' B' ' 38' ' ' LEU . . . -71.96 -35.28 69.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.136 -0.484 . . . . 0.54000000000000004 111.07 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.531 ' O ' HD21 ' B' ' 33' ' ' LEU . 9.2 tt0 -63.82 -52.6 59.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.638 -0.71 . . . . 1.5700000000000001 110.654 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.37 -27.94 69.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 2.3599999999999999 110.505 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -67.5 -31.02 70.86 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.894 -0.593 . . . . 1.04 111.054 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.601 HD11 HD23 ' B' ' 38' ' ' LEU . 33.5 mt -63.57 -46.57 85.27 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.53 -0.545 . . . . 1.28 109.53 176.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 43.3 tt0 -58.63 -45.05 90.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.292 -0.867 . . . . 1.75 110.989 -178.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -64.35 -42.56 95.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 0.48999999999999999 110.269 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.61 94.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.47999999999999998 110.829 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 46' ' ' LEU . 75.8 mt -55.5 -48.58 77.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.62 110.626 176.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 30.6 mm-40 -62.08 -40.29 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 1.8400000000000001 110.847 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 72.6 m -68.66 -46.66 68.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 0.68999999999999995 111.207 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.409 ' HA ' ' HB3' ' B' ' 56' ' ' ALA . 85.7 mt -69.45 -28.54 66.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.675 -0.239 . . . . 0.76000000000000001 111.163 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 1.7 tm-20 -58.01 -49.95 75.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.619 -0.511 . . . . 1.6599999999999999 109.619 173.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -68.64 -34.81 76.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.597 -0.729 . . . . 1.1499999999999999 110.7 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.437 ' HA ' ' HB1' ' A' ' 42' ' ' ALA . . . -58.17 -67.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.728 -0.669 . . . . 1.1399999999999999 112.138 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.7 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 98.4 m-85 -83.56 -9.6 58.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.344 -0.389 . . . . 2.0600000000000001 111.778 -173.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.68 44.91 19.12 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.978 -0.629 . . . . 2.6000000000000001 112.316 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.63 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 5.4 m -125.26 172.89 12.24 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-O 121.626 0.727 . . . . 1.3500000000000001 111.749 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' B' ' 63' ' ' ASP . 0.7 OUTLIER -90.49 -171.05 2.94 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 106.869 -1.53 . . . . 2.3799999999999999 106.869 159.708 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.523 HG23 HG22 ' B' ' 26' ' ' ILE . 0.5 OUTLIER -53.87 -59.12 2.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 118.809 0.731 . . . . 2.21 112.594 -176.642 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.973 ' HB2' ' CE1' ' B' ' 23' ' ' TYR . 0.0 OUTLIER -146.4 7.66 1.01 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 123.262 1.506 . . . . 4.0 108.935 178.749 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.553 ' HA ' ' OE2' ' B' ' 62' ' ' GLU . 14.6 t70 -41.14 -83.51 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 111.355 -2.657 . . . . 3.6200000000000001 115.027 -125.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 19.7 t -110.08 -48.38 3.2 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 119.76 1.164 . . . . 2.9199999999999999 113.019 165.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -52.49 -26.65 13.57 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 112.412 -2.176 . . . . 3.46 111.339 -163.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.942 HD12 ' HB2' ' B' ' 23' ' ' TYR . 0.4 OUTLIER -125.04 14.66 8.47 Favored 'General case' 0 N--CA 1.421 -1.887 0 C-N-CA 120.056 -0.658 . . . . 1.8700000000000001 110.644 -173.472 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.628 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . . . -64.49 119.94 11.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.917 -0.583 . . . . 1.54 110.544 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 66' ' ' LEU . 95.9 mt -114.77 154.09 46.86 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.568 -0.742 . . . . 1.5600000000000001 110.578 -173.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -43.16 -49.68 7.02 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.946 3.098 . . . . 2.75 113.679 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -123.96 177.96 5.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.451 -0.574 . . . . 2.7599999999999998 109.451 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.5 p -84.88 143.87 28.76 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.558 0.694 . . . . 1.55 109.862 177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.681 HD13 HD12 ' B' ' 75' ' ' ILE . 4.2 mm? -73.35 -36.15 3.02 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.016 -0.993 . . . . 1.79 112.284 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' B' ' 72' ' ' LEU . 1.7 Cg_endo -48.12 -43.04 31.96 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.806 1.671 . . . . 1.0600000000000001 112.021 172.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.66 -43.8 88.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.047 0.451 . . . . 2.27 110.399 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.681 HD12 HD13 ' B' ' 72' ' ' LEU . 65.6 mt -59.3 -36.09 61.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.954 -0.566 . . . . 1.3700000000000001 110.23 176.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -75.56 -22.08 57.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.993 -0.549 . . . . 2.3700000000000001 111.0 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.2 mt-10 -71.47 -19.36 62.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.698 -0.482 . . . . 2.5099999999999998 109.698 173.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.55 -46.01 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 0.64000000000000001 110.977 171.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.62 -54.2 4.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.174 0.805 . . . . 0.98999999999999999 113.174 -172.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.619 ' HA ' HD11 ' A' ' 72' ' ' LEU . . . -70.17 -13.3 62.13 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.105 0.478 . . . . 1.55 111.619 -173.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.1 m -81.24 -15.93 54.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.777 -0.647 . . . . 2.3300000000000001 110.446 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.63 117.23 0.85 Allowed Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.741 -0.663 . . . . 2.5899999999999999 111.48 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.485 -0.769 . . . . 4.4000000000000004 110.003 -179.246 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 45.7 ttp . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.943 0.402 . . . . 3.6800000000000002 110.465 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.66 93.22 4.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.103 -0.499 . . . . 2.3999999999999999 110.298 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.468 ' OD1' ' HA ' ' B' ' 81' ' ' THR . 12.6 t30 -72.46 -6.02 40.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.442 0.639 . . . . 2.52 109.77 178.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -46.68 -47.54 20.29 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.85 -1.068 . . . . 1.8999999999999999 110.191 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HB3' HG11 ' A' ' 59' ' ' VAL . 30.3 mtmt -62.7 -34.72 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.884 -1.053 . . . . 1.49 110.935 -175.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.712 ' O ' ' HB3' ' A' ' 23' ' ' TYR . 32.8 mtm180 -85.56 -13.82 47.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.542 -0.754 . . . . 2.3399999999999999 111.058 -172.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.31 -49.18 75.0 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.752 -0.833 . . . . 0.69999999999999996 108.752 167.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -61.09 -36.57 80.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.823 -0.626 . . . . 0.82999999999999996 110.382 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.749 ' HB2' HD12 ' A' ' 66' ' ' LEU . 10.5 t80 -41.84 -58.77 1.91 Allowed 'General case' 0 N--CA 1.462 0.132 0 O-C-N 124.029 0.831 . . . . 2.9900000000000002 111.658 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . . . -76.27 -26.42 55.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.087 -0.506 . . . . 1.1399999999999999 111.799 -173.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 76.5 mt -66.28 -42.2 90.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.099 -0.704 . . . . 0.96999999999999997 109.099 175.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.81 -50.85 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.733 -0.667 . . . . 0.78000000000000003 110.304 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.02 -55.27 36.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.004 -0.544 . . . . 1.5800000000000001 111.995 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -71.03 -47.99 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.082 -0.508 . . . . 1.98 111.365 -172.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.591 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 11.0 mp -65.09 -26.34 68.18 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.036 -0.265 . . . . 0.69999999999999996 111.0 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -58.11 -54.14 50.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.308 0.575 . . . . 1.4099999999999999 110.585 174.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.09 -37.29 54.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.988 -0.551 . . . . 1.98 110.839 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.66 -34.04 68.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.33 0.586 . . . . 1.9199999999999999 109.823 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.593 HD23 ' HB2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -59.13 -53.98 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.93 -1.032 . . . . 1.22 109.895 176.487 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -78.89 -11.44 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.556 -0.747 . . . . 3.4900000000000002 111.696 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -89.29 -13.89 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 2.6800000000000002 110.612 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.71 40.25 76.56 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.846 -0.616 . . . . 0.53000000000000003 111.825 -178.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.9 -45.08 96.46 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 121.236 -0.507 . . . . 0.52000000000000002 113.085 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.555 HD23 HD11 ' A' ' 46' ' ' LEU . 3.1 mm? -105.61 -177.59 3.41 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.922 -0.163 . . . . 0.82999999999999996 110.582 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.5 t -71.6 -177.24 1.81 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.784 0.326 . . . . 1.4199999999999999 111.074 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -59.09 -62.39 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 1.6299999999999999 111.924 -174.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.9 -37.68 84.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 2.2000000000000002 110.7 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.02 87.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.737 -0.665 . . . . 0.54000000000000004 110.751 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.503 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.8 tt0 -59.5 -53.88 53.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 1.5600000000000001 110.122 177.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.87 -33.03 68.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.878 0.37 . . . . 2.3599999999999999 110.904 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.5 m -66.0 -33.92 76.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 1.04 111.433 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.593 ' HB2' HD23 ' A' ' 33' ' ' LEU . 27.6 mt -60.94 -49.73 76.29 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.116 0.484 . . . . 1.28 109.736 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.27 -42.75 91.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.103 -0.953 . . . . 1.76 111.3 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.34 -44.19 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.922 0.391 . . . . 0.48999999999999999 110.106 177.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.76 92.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 0.47999999999999998 110.913 178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 46' ' ' LEU . 67.2 mt -53.62 -55.12 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.60999999999999999 110.684 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.85 -36.8 85.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 1.8400000000000001 111.352 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.7 m -65.06 -50.18 67.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.68999999999999995 110.889 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.87 -34.9 74.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.594 0.235 . . . . 0.76000000000000001 111.177 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.39 -48.76 76.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.285 0.564 . . . . 1.6499999999999999 109.826 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 m -73.52 -32.87 64.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.443 -0.798 . . . . 1.1599999999999999 110.768 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.84 -54.97 35.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 1.1499999999999999 111.743 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.595 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 88.1 m-85 -90.28 0.92 57.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.874 0.369 . . . . 2.0499999999999998 111.535 -176.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.24 44.53 90.69 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.768 -0.651 . . . . 2.6000000000000001 112.745 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 19' ' ' LYS . 7.9 m -126.4 177.94 4.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.746 0.308 . . . . 1.3500000000000001 110.939 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 63' ' ' ASP . 2.7 p -118.3 -171.64 2.11 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.189 -0.671 . . . . 2.3799999999999999 109.189 171.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -34.79 -69.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 122.456 1.122 . . . . 2.21 113.408 -173.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.492 ' HB2' ' HE1' ' A' ' 23' ' ' TYR . 12.5 pt-20 -147.12 12.38 1.08 Allowed 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.632 -1.622 . . . . 4.0099999999999998 107.138 -174.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.56 ' HB2' ' OG1' ' A' ' 60' ' ' THR . 17.6 t70 -8.31 -86.39 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 111.092 -2.776 . . . . 3.6200000000000001 109.851 -132.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.6 t -138.54 -35.27 0.6 Allowed 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.832 -0.747 . . . . 2.9100000000000001 110.639 155.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.6 -15.39 63.63 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.352 0.501 . . . . 3.46 112.352 -168.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.749 HD12 ' HB2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -111.67 11.69 21.1 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.191 -0.604 . . . . 1.8700000000000001 110.557 -178.556 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . . . -60.75 129.3 40.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.696 -0.684 . . . . 1.53 110.702 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 67.2 mt -121.41 141.45 33.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 110.413 -0.217 . . . . 1.55 110.413 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -47.23 -53.34 6.51 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.045 2.497 . . . . 2.7400000000000002 113.566 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -113.89 159.22 20.1 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.934 -0.395 . . . . 2.75 109.934 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 53.3 p -74.74 139.65 43.55 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.314 0.578 . . . . 1.55 110.045 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.627 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.5 mt -72.1 -40.25 7.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.34 -0.846 . . . . 1.79 113.238 -173.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -46.95 -35.75 18.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.963 1.775 . . . . 1.0700000000000001 113.162 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.11 -44.32 80.24 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.175 0.512 . . . . 2.2799999999999998 109.815 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.97 -38.72 75.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.601 -0.727 . . . . 1.3799999999999999 109.926 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.627 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 14.8 m-30 -66.91 -35.82 80.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.476 -0.783 . . . . 2.3599999999999999 110.9 -175.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -75.68 -16.03 60.23 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.551 -0.459 . . . . 2.52 110.807 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.38 -54.83 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.65000000000000002 111.45 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.19 -52.63 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.186 0.517 . . . . 0.98999999999999999 111.815 -175.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -68.44 -9.86 51.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.397 -0.82 . . . . 1.5600000000000001 111.86 -172.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.481 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 7.2 t -72.35 -16.61 61.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.107 0.479 . . . . 2.3300000000000001 110.662 177.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.61 102.86 0.16 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.943 -0.646 . . . . 2.5899999999999999 111.799 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 tttp . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.588 -0.72 . . . . 4.4100000000000001 109.929 -178.437 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 45.4 ttp . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.827 0.346 . . . . 3.6800000000000002 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.62 93.19 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.305 -0.407 . . . . 2.4199999999999999 110.345 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.481 ' OD1' ' HA ' ' A' ' 81' ' ' THR . 12.5 t30 -72.46 -6.0 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.434 0.635 . . . . 2.52 109.665 178.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -46.73 -47.42 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.927 -1.033 . . . . 1.8899999999999999 110.118 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.515 ' HB3' HG11 ' B' ' 59' ' ' VAL . 30.3 mtmt -62.83 -34.99 78.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.104 -0.953 . . . . 1.49 110.947 -175.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.713 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 31.9 mtm180 -84.26 -15.67 45.92 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.43 -0.805 . . . . 2.3399999999999999 111.158 -173.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.03 -49.3 76.55 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.909 -0.775 . . . . 0.69999999999999996 108.909 167.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.592 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -61.2 -36.66 80.49 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.815 -0.629 . . . . 0.82999999999999996 110.283 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.755 ' HB2' HD12 ' B' ' 66' ' ' LEU . 10.5 t80 -41.76 -58.74 1.89 Allowed 'General case' 0 C--N 1.333 -0.141 0 O-C-N 124.06 0.85 . . . . 2.9900000000000002 111.647 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.45 ' HB2' ' HG ' ' B' ' 72' ' ' LEU . . . -76.4 -26.32 55.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.131 -0.486 . . . . 1.1399999999999999 111.746 -173.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 76.7 mt -66.31 -42.18 90.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.074 -0.713 . . . . 0.96999999999999997 109.074 175.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.419 HG21 ' HA ' ' B' ' 61' ' ' VAL . 85.0 mt -64.8 -50.81 73.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.73 -0.668 . . . . 0.78000000000000003 110.347 174.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.09 -55.19 37.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.015 -0.539 . . . . 1.5800000000000001 111.959 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -71.14 -48.0 54.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.179 -0.464 . . . . 1.98 111.395 -172.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 11.0 mp -64.96 -26.3 68.24 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.116 -0.233 . . . . 0.69999999999999996 110.977 -178.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -58.24 -54.2 49.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.315 0.579 . . . . 1.4099999999999999 110.48 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -37.27 55.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.844 -0.616 . . . . 1.98 110.916 -178.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -57.65 -34.09 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.29 0.567 . . . . 1.9299999999999999 109.771 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.585 HD23 ' HB2' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -59.05 -53.87 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.966 -1.016 . . . . 1.22 110.017 176.404 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -79.08 -11.32 59.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.538 -0.756 . . . . 3.5 111.591 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -89.43 -13.61 37.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.0 0.429 . . . . 2.6899999999999999 110.702 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.57 40.2 78.09 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.815 -0.63 . . . . 0.53000000000000003 111.909 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.71 -45.28 95.97 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.281 -0.485 . . . . 0.53000000000000003 112.997 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.543 HD23 HD11 ' B' ' 46' ' ' LEU . 3.1 mm? -105.5 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.483 -0.191 . . . . 0.82999999999999996 110.483 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.0 t -71.97 -176.85 1.83 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.656 0.265 . . . . 1.4199999999999999 111.084 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 44.4 t -59.36 -62.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 1.6299999999999999 111.808 -174.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.84 -37.54 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.081 0.467 . . . . 2.21 110.687 -177.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.9 88.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.758 -0.656 . . . . 0.54000000000000004 110.718 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.513 ' O ' HD21 ' B' ' 33' ' ' LEU . 8.8 tt0 -59.58 -53.74 54.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.638 -0.71 . . . . 1.5700000000000001 110.109 177.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.93 -33.1 68.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.824 0.345 . . . . 2.3599999999999999 110.912 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 36.3 m -65.88 -34.08 77.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.879 -0.601 . . . . 1.04 111.398 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.585 ' HB2' HD23 ' B' ' 33' ' ' LEU . 27.9 mt -60.99 -49.62 76.68 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.133 0.492 . . . . 1.28 109.768 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.33 -42.67 92.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.164 -0.925 . . . . 1.75 111.305 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.2 t -64.42 -44.1 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.985 -0.376 . . . . 0.48999999999999999 109.985 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.8 92.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.039 -0.528 . . . . 0.47999999999999998 110.861 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 46' ' ' LEU . 67.0 mt -53.48 -55.22 14.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.936 -0.574 . . . . 0.62 110.674 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.82 -36.77 84.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.8400000000000001 111.359 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.98 -50.3 66.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.105 -0.498 . . . . 0.68999999999999995 110.963 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.84 -34.87 74.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.621 0.248 . . . . 0.76000000000000001 111.215 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.42 -48.8 76.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.275 0.559 . . . . 1.6599999999999999 109.798 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 16.1 m -73.45 -32.86 64.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.449 -0.796 . . . . 1.1499999999999999 110.822 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.98 -54.64 40.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.872 -0.603 . . . . 1.1399999999999999 111.784 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.592 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 87.9 m-85 -90.52 1.19 56.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.015 0.435 . . . . 2.0600000000000001 111.504 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.76 44.91 91.39 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.788 -0.642 . . . . 2.6000000000000001 112.764 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.515 HG11 ' HB3' ' B' ' 19' ' ' LYS . 7.6 m -126.6 178.13 4.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.863 0.363 . . . . 1.3500000000000001 110.87 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' THR . . . . . 0.61 ' OG1' ' HB2' ' B' ' 63' ' ' ASP . 2.8 p -118.81 -171.43 2.09 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.71 -0.677 . . . . 2.3799999999999999 109.225 171.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.419 ' HA ' HG21 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -39.92 -63.65 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 114.018 1.118 . . . . 2.21 114.018 -169.802 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.491 ' HB2' ' HE1' ' B' ' 23' ' ' TYR . 12.7 pt-20 -147.52 18.09 1.17 Allowed 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.163 -1.38 . . . . 4.0 108.918 -176.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.61 ' HB2' ' OG1' ' B' ' 60' ' ' THR . 13.4 t70 -29.28 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 118.679 -1.209 . . . . 3.6200000000000001 110.434 -117.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . 0.266 38.2 t -117.34 -45.53 2.72 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 122.884 2.583 . . . . 2.9199999999999999 114.181 147.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.09 -14.67 61.06 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 112.566 -2.107 . . . . 3.46 111.977 -159.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.755 HD12 ' HB2' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -111.6 11.55 21.21 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 120.063 -0.655 . . . . 1.8700000000000001 110.362 -178.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . . . -60.76 129.09 39.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.71 -0.677 . . . . 1.54 110.583 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 67.6 mt -121.29 141.77 33.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 119.589 -0.243 . . . . 1.5600000000000001 110.407 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -48.58 -51.05 11.0 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.972 2.448 . . . . 2.75 113.821 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -115.29 159.2 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.785 -0.45 . . . . 2.7599999999999998 109.785 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.4 p -74.8 143.42 43.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.226 -0.589 . . . . 1.55 109.488 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.613 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 67.1 mt -75.24 -39.98 3.38 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.4 -0.818 . . . . 1.79 112.989 -173.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.92 -35.93 19.19 Favored 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 122.038 1.825 . . . . 1.0600000000000001 113.1 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.92 -44.63 80.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.113 0.483 . . . . 2.27 109.82 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.62 -38.88 73.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 115.665 -0.698 . . . . 1.3700000000000001 109.962 173.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 14.8 m-30 -66.81 -35.78 80.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.445 -0.798 . . . . 2.3700000000000001 110.905 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -75.58 -16.92 60.19 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.967 -0.458 . . . . 2.5099999999999998 110.677 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.98 -55.46 3.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.64000000000000001 111.56 177.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.9 -52.74 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.234 0.54 . . . . 0.98999999999999999 111.882 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -67.56 -11.69 58.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.356 -0.838 . . . . 1.55 111.813 -172.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.468 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 6.9 t -71.02 -16.66 62.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.071 0.462 . . . . 2.3300000000000001 110.793 177.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.5 102.95 0.16 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.016 -0.612 . . . . 2.5899999999999999 111.838 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.342 -0.837 . . . . 4.4000000000000004 110.064 -178.379 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.8 ttp . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.039 0.447 . . . . 3.6800000000000002 110.369 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 6.3 m-20 -82.44 103.32 11.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.905 -0.589 . . . . 2.3999999999999999 110.374 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.476 ' OD1' ' HD2' ' A' ' 18' ' ' LYS . 30.9 p-10 -74.25 -6.25 46.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.689 0.281 . . . . 2.52 110.486 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HD2' ' OD1' ' A' ' 17' ' ' ASN . 11.8 mptt -75.32 -51.75 12.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 1.8999999999999999 110.742 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HB2' ' CG1' ' A' ' 59' ' ' VAL . 21.0 ptmt -63.76 -39.84 95.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.244 0.545 . . . . 1.49 110.599 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.521 HH11 ' HG ' ' A' ' 68' ' ' LEU . 79.2 mtt180 -62.68 -41.58 99.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.546 -0.752 . . . . 2.3399999999999999 109.627 177.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.728 HD13 ' CE2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -62.08 -37.72 86.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.723 -0.671 . . . . 0.69999999999999996 110.114 179.554 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -56.35 -31.03 63.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.312 -0.404 . . . . 0.82999999999999996 110.815 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CD2' ' HB3' ' A' ' 63' ' ' ASP . 15.7 t80 -62.94 -39.19 93.87 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.013 -0.54 . . . . 2.9900000000000002 110.409 176.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 69' ' ' PRO . . . -55.0 -43.2 73.39 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.178 0.513 . . . . 1.1399999999999999 111.107 173.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.495 HD11 HD11 ' A' ' 21' ' ' LEU . 13.6 mm -63.83 -51.41 69.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.903 -1.044 . . . . 0.96999999999999997 109.389 -176.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.492 HG12 HG23 ' A' ' 50' ' ' ILE . 81.1 mt -60.55 -51.31 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.159 -0.928 . . . . 0.78000000000000003 110.909 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.696 ' HB3' HG23 ' A' ' 71' ' ' THR . 15.1 mm-40 -50.54 -59.46 4.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 1.5800000000000001 112.249 -176.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.652 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 68.5 t80 -78.38 -61.78 1.9 Allowed 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.699 -0.401 . . . . 1.98 111.694 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.544 ' HA ' HE21 ' A' ' 32' ' ' GLN . 7.2 mp -56.91 -24.29 51.19 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.66 0.615 . . . . 0.69999999999999996 112.66 -172.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -87.78 -38.19 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.126 -0.629 . . . . 1.4099999999999999 110.856 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.32 -47.91 69.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 1.98 109.938 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.544 HE21 ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.47 -30.87 69.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.986 -1.006 . . . . 1.9199999999999999 110.642 175.325 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -60.63 -41.71 95.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 1.22 110.233 -178.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -75.06 -22.87 58.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.107 -0.497 . . . . 3.4900000000000002 110.86 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -85.34 -33.23 22.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.393 . . . . 2.6800000000000002 111.589 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.576 ' HA2' ' OE1' ' A' ' 43' ' ' GLN . . . 102.37 43.44 2.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.694 -0.765 . . . . 0.53000000000000003 112.773 177.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.51 -60.48 5.03 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.52000000000000002 112.678 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.11 176.08 9.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.722 -0.281 . . . . 0.82999999999999996 110.921 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 t -66.62 167.71 10.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 1.4199999999999999 111.087 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 6.4 p -54.63 -53.87 49.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.931 0.345 . . . . 1.6299999999999999 111.931 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.19 -37.85 88.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.044 0.449 . . . . 2.2000000000000002 110.76 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -62.68 -40.41 97.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.785 -0.643 . . . . 0.54000000000000004 110.546 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.576 ' OE1' ' HA2' ' A' ' 36' ' ' GLY . 20.6 mt-30 -52.26 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.697 -0.683 . . . . 1.5600000000000001 111.187 176.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 48' ' ' VAL . 37.4 mm-40 -48.78 -38.53 22.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.307 -0.86 . . . . 2.3599999999999999 111.633 177.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.2 m -67.56 -39.68 84.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.358 -0.383 . . . . 1.04 111.691 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 42.4 mt -66.68 -35.99 81.46 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.019 -0.363 . . . . 1.28 110.019 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 7.4 tp10 -54.87 -55.51 29.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 1.76 109.975 176.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 44' ' ' GLU . 16.0 t -52.57 -50.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.283 -0.871 . . . . 0.48999999999999999 110.41 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -60.74 -50.34 73.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.171 -0.922 . . . . 0.47999999999999998 111.632 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.499 HD11 ' CB ' ' A' ' 29' ' ' LEU . 61.5 mt -61.82 -42.01 92.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.551 . . . . 0.60999999999999999 111.65 -176.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 74.3 mm-40 -63.32 -39.63 95.08 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.071 0.463 . . . . 1.8400000000000001 110.435 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 79.6 m -68.91 -42.54 76.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 0.68999999999999995 110.573 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 95.3 mt -62.86 -46.45 87.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.616 0.246 . . . . 0.76000000000000001 111.18 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -55.8 -45.34 78.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 1.6499999999999999 110.289 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.7 m -74.88 -35.27 62.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.723 -0.671 . . . . 1.1599999999999999 111.157 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.01 -55.84 22.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.114 0.483 . . . . 1.1499999999999999 111.241 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 19' ' ' LYS . 92.9 m-85 -77.28 -27.37 53.09 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.832 -0.622 . . . . 2.0499999999999998 110.977 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.07 42.15 45.11 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.866 -0.606 . . . . 2.6000000000000001 111.634 -176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 19' ' ' LYS . 27.4 m -113.33 153.22 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.923 0.392 . . . . 1.3500000000000001 111.693 -174.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.9 p -142.35 -168.18 2.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.751 -0.659 . . . . 2.3799999999999999 110.576 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.448 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 12.4 p -60.72 -11.11 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-O 121.856 0.836 . . . . 2.21 112.117 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 65' ' ' ASP . 20.6 mm-40 -56.87 -23.33 43.69 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.918 -0.489 . . . . 4.0099999999999998 110.707 176.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.592 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 14.0 t70 -69.22 -26.66 64.92 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.33 -0.395 . . . . 3.6200000000000001 110.617 178.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -65.33 -32.67 74.44 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.956 -0.387 . . . . 2.9100000000000001 109.956 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 65.0 m-20 -61.94 -32.62 73.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 3.46 110.736 175.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.57 ' O ' HD23 ' A' ' 68' ' ' LEU . 3.7 pp -110.03 30.12 7.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.407 -0.36 . . . . 1.8700000000000001 111.059 176.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -30.19 109.78 0.06 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 123.052 1.406 . . . . 1.53 114.352 -165.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.97 HD13 ' HD2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -127.15 -143.8 0.0 OUTLIER Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 111.719 -2.491 . . . . 1.55 107.59 -169.811 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.97 ' HD2' HD13 ' A' ' 68' ' ' LEU . 11.6 Cg_exo -32.92 24.05 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.883 1 C-N-CA 126.36 4.706 . . . . 2.7400000000000002 116.208 147.067 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.826 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 1.9 pt20 -57.4 -168.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 124.886 1.275 . . . . 2.75 108.292 159.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.696 HG23 ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -44.66 114.43 0.7 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 119.233 0.924 . . . . 1.55 111.851 -171.325 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 70' ' ' GLN . 0.9 OUTLIER -90.72 -30.02 0.34 Allowed Pre-proline 0 C--O 1.181 -2.536 0 CA-C-O 116.592 -1.67 . . . . 1.79 114.939 -177.561 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.652 ' HG2' ' CG ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -30.68 -36.98 0.05 OUTLIER 'Trans proline' 0 CA--C 1.552 1.383 0 C-N-CA 122.923 2.415 . . . . 1.0700000000000001 116.336 -172.703 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' LEU . 1.3 tm-20 -80.23 -55.85 4.63 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 118.267 0.485 . . . . 2.2799999999999998 109.968 171.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.577 ' HB ' ' HG ' ' A' ' 72' ' ' LEU . 56.5 mt -44.73 -51.46 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-O 121.625 0.726 . . . . 1.3799999999999999 110.866 170.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.718 ' CE2' HD13 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -62.88 -44.81 95.12 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 114.727 -1.124 . . . . 2.3599999999999999 110.526 -177.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 73' ' ' PRO . 11.0 tp10 -53.88 -27.28 29.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.788 0.804 . . . . 2.52 109.606 178.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.61 2.22 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.778 -1.101 . . . . 0.65000000000000002 111.481 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.07 67.46 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.056 0.455 . . . . 0.98999999999999999 111.394 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HA ' ' HD3' ' B' ' 69' ' ' PRO . . . -69.19 -40.6 77.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.387 -0.824 . . . . 1.5600000000000001 111.773 -175.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 p -82.37 -31.93 29.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.197 -0.456 . . . . 2.3300000000000001 111.497 -176.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.26 54.86 4.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 2.5899999999999999 112.49 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.676 -0.678 . . . . 4.4100000000000001 109.702 179.137 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 57.2 ttp . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 121.018 0.437 . . . . 3.6800000000000002 110.389 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 6.7 m-20 -82.78 103.51 12.33 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.915 -0.584 . . . . 2.4199999999999999 110.251 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.494 ' OD1' ' HD2' ' B' ' 18' ' ' LYS . 31.2 p-10 -74.46 -6.05 46.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.755 0.312 . . . . 2.52 110.532 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.494 ' HD2' ' OD1' ' B' ' 17' ' ' ASN . 11.8 mptt -75.21 -51.86 12.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.8899999999999999 110.735 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' B' ' 59' ' ' VAL . 21.0 ptmt -63.63 -40.03 95.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.281 0.563 . . . . 1.49 110.591 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.54 HH11 ' HG ' ' B' ' 68' ' ' LEU . 79.0 mtt180 -62.58 -41.65 99.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.507 -0.769 . . . . 2.3399999999999999 109.638 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.718 HD13 ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -62.07 -37.61 85.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.734 -0.666 . . . . 0.69999999999999996 110.151 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.416 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -56.4 -30.98 63.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.257 -0.428 . . . . 0.82999999999999996 110.866 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' B' ' 63' ' ' ASP . 15.9 t80 -63.04 -39.21 94.06 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.941 -0.572 . . . . 2.9900000000000002 110.361 176.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' B' ' 69' ' ' PRO . . . -54.93 -43.08 73.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.284 0.564 . . . . 1.1399999999999999 111.238 173.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.487 HD11 HD11 ' B' ' 21' ' ' LEU . 13.4 mm -63.92 -51.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.807 -1.088 . . . . 0.96999999999999997 109.45 -176.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.476 HG12 HG23 ' B' ' 50' ' ' ILE . 81.2 mt -60.55 -51.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.111 -0.95 . . . . 0.78000000000000003 110.856 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.689 ' HB3' HG23 ' B' ' 71' ' ' THR . 15.3 mm-40 -50.28 -59.75 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 1.5800000000000001 112.297 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.661 ' CG ' ' HG2' ' B' ' 73' ' ' PRO . 68.3 t80 -78.21 -61.91 1.85 Allowed 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.791 -0.364 . . . . 1.98 111.704 -176.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.543 ' HA ' HE21 ' B' ' 32' ' ' GLN . 7.2 mp -56.83 -24.46 51.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.75 0.648 . . . . 0.69999999999999996 112.75 -172.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -87.32 -38.39 16.29 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.179 -0.609 . . . . 1.4099999999999999 110.872 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -67.25 -48.03 68.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.584 0.707 . . . . 1.98 110.024 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.543 HE21 ' HA ' ' B' ' 29' ' ' LEU . 0.0 OUTLIER -60.43 -30.73 69.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.072 -0.967 . . . . 1.9299999999999999 110.706 175.32 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -60.7 -41.69 95.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 1.22 110.306 -178.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -75.09 -23.02 57.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 3.5 110.823 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -85.17 -33.13 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.477 -0.329 . . . . 2.6899999999999999 111.547 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLY . . . . . 0.595 ' HA2' ' OE1' ' B' ' 43' ' ' GLN . . . 102.54 42.67 2.12 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.618 -0.801 . . . . 0.53000000000000003 112.886 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.1 -60.75 4.99 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 120.774 -0.727 . . . . 0.53000000000000003 112.65 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.87 176.06 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.584 0.231 . . . . 0.82999999999999996 110.903 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 32.2 t -66.73 167.99 10.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.335 -0.393 . . . . 1.4199999999999999 111.247 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 7.7 p -54.82 -53.7 51.81 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.941 0.348 . . . . 1.6299999999999999 111.941 -175.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -65.33 -37.86 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.091 0.472 . . . . 2.21 110.765 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.55 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -62.6 -40.45 96.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 0.54000000000000004 110.518 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.595 ' OE1' ' HA2' ' B' ' 36' ' ' GLY . 20.7 mt-30 -52.09 -65.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.785 -0.643 . . . . 1.5700000000000001 111.25 176.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.503 ' O ' HG23 ' B' ' 48' ' ' VAL . 34.8 mm-40 -48.75 -38.5 21.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.167 -0.924 . . . . 2.3599999999999999 111.622 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -67.43 -39.88 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 1.04 111.645 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 41.7 mt -66.47 -36.18 82.12 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.058 -0.349 . . . . 1.28 110.058 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 7.5 tp10 -54.8 -55.48 29.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.75 109.998 176.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 44' ' ' GLU . 15.9 t -52.64 -50.45 41.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.321 -0.854 . . . . 0.48999999999999999 110.332 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -60.58 -50.23 74.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.203 -0.908 . . . . 0.47999999999999998 111.745 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.498 HD11 ' CB ' ' B' ' 29' ' ' LEU . 61.4 mt -61.88 -42.04 93.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.976 -0.556 . . . . 0.62 111.603 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 74.5 mm-40 -63.28 -39.83 95.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.103 0.478 . . . . 1.8400000000000001 110.38 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -68.65 -42.54 77.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 0.68999999999999995 110.667 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 95.4 mt -62.89 -46.47 87.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.645 0.259 . . . . 0.76000000000000001 111.151 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.94 -45.04 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 1.6599999999999999 110.376 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.6 m -75.11 -35.19 61.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.692 -0.685 . . . . 1.1499999999999999 111.189 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.9 21.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 1.1399999999999999 111.316 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' B' ' 19' ' ' LYS . 91.9 m-85 -77.64 -26.61 50.61 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.972 -0.558 . . . . 2.0600000000000001 111.059 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.79 42.17 47.09 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.757 -0.656 . . . . 2.6000000000000001 111.683 -176.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' B' ' 19' ' ' LYS . 28.4 m -113.3 152.76 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.891 0.377 . . . . 1.3500000000000001 111.727 -174.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 38.8 p -141.9 -169.98 3.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 2.3799999999999999 110.625 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.453 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 12.8 p -59.12 -11.3 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-O 121.82 0.819 . . . . 2.21 112.263 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 65' ' ' ASP . 21.3 mm-40 -56.92 -23.13 42.82 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.908 -0.495 . . . . 4.0 110.708 176.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.579 ' HB3' ' CD2' ' B' ' 23' ' ' TYR . 14.1 t70 -69.51 -26.66 64.64 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.299 -0.41 . . . . 3.6200000000000001 110.461 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m -65.51 -32.31 73.84 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.893 0.378 . . . . 2.9199999999999999 110.007 173.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 65.5 m-20 -62.04 -32.56 73.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.168 -0.469 . . . . 3.46 110.722 175.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.579 ' O ' HD23 ' B' ' 68' ' ' LEU . 3.7 pp -109.23 27.97 8.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.354 -0.385 . . . . 1.8700000000000001 111.489 176.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -29.44 109.07 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 123.935 1.826 . . . . 1.54 115.019 -165.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.972 HD13 ' HD2' ' B' ' 69' ' ' PRO . 0.2 OUTLIER -128.31 -156.32 0.03 OUTLIER Pre-proline 0 C--N 1.299 -1.599 0 C-N-CA 130.482 3.513 . . . . 1.5600000000000001 106.462 -166.12 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 69' ' ' PRO . . . . . 0.972 ' HD2' HD13 ' B' ' 68' ' ' LEU . 13.0 Cg_exo -26.0 20.18 0.0 OUTLIER 'Trans proline' 0 CA--C 1.563 1.944 0 C-N-CA 124.928 3.752 . . . . 2.75 116.531 149.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLN . . . . . 0.872 ' HG2' ' O ' ' B' ' 68' ' ' LEU 0.26 1.9 pt20 -61.64 -168.18 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 106.106 -1.813 . . . . 2.7599999999999998 106.106 163.263 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.689 HG23 ' HB3' ' B' ' 27' ' ' GLN 0.287 0.3 OUTLIER -56.93 127.69 33.09 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 122.25 2.296 . . . . 1.55 108.727 -157.802 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.645 HD12 ' O ' ' B' ' 70' ' ' GLN . 1.1 mp -91.64 -34.31 0.35 Allowed Pre-proline 0 C--O 1.181 -2.545 0 CA-C-N 112.834 -1.985 . . . . 1.79 115.398 -176.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.661 ' HG2' ' CG ' ' B' ' 28' ' ' PHE . 0.1 OUTLIER -30.54 -36.12 0.04 OUTLIER 'Trans proline' 0 CA--C 1.55 1.323 0 C-N-CA 123.105 2.537 . . . . 1.0600000000000001 116.12 -170.368 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 72' ' ' LEU . 1.3 tm-20 -80.76 -55.87 4.53 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 118.211 0.459 . . . . 2.27 109.944 171.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.583 ' HB ' ' HG ' ' B' ' 72' ' ' LEU . 55.5 mt -44.51 -51.76 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-O 121.536 0.684 . . . . 1.3700000000000001 110.874 169.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.728 ' CE2' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -62.94 -44.62 95.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 114.867 -1.061 . . . . 2.3700000000000001 110.488 -177.609 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' B' ' 73' ' ' PRO . 10.7 tp10 -53.96 -27.33 30.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.738 0.78 . . . . 2.5099999999999998 109.614 178.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.75 -59.51 2.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.759 -1.11 . . . . 0.64000000000000001 111.502 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.31 -35.07 67.13 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.107 0.479 . . . . 0.98999999999999999 111.433 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.49 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . . . -69.51 -40.21 77.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.417 -0.811 . . . . 1.55 111.767 -174.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.8 p -82.73 -31.56 28.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 2.3300000000000001 111.54 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.61 55.28 4.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 2.5899999999999999 112.435 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.41 -0.805 . . . . 4.4000000000000004 109.92 179.103 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.799 0.333 . . . . 3.6800000000000002 110.257 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.75 104.15 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.058 -0.519 . . . . 2.3999999999999999 110.945 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 26.4 p-10 -73.82 -18.75 60.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.089 0.471 . . . . 2.52 110.349 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -71.21 -23.42 62.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.74 -0.663 . . . . 1.8999999999999999 112.409 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.595 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 15.5 ptmt -87.06 -20.71 26.77 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.901 -0.32 . . . . 1.49 110.576 174.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.39 -40.03 52.03 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.495 -0.928 . . . . 2.3399999999999999 108.495 172.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 5.9 tp -60.9 -42.59 98.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.618 -1.173 . . . . 0.69999999999999996 109.418 168.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.759 ' HB1' ' O ' ' A' ' 58' ' ' GLY . . . -59.33 -46.33 88.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.98 -1.009 . . . . 0.82999999999999996 110.932 175.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 64' ' ' SER . 86.9 t80 -51.88 -41.39 61.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.275 -0.875 . . . . 2.9900000000000002 110.293 178.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.713 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . . . -55.38 -45.54 76.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.398 -0.819 . . . . 1.1399999999999999 111.683 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 46.3 mt -75.49 -44.91 40.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 114.856 -1.065 . . . . 0.96999999999999997 111.048 -170.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.791 HD12 HG23 ' A' ' 59' ' ' VAL . 7.0 mt -64.69 -46.77 91.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 C-N-CA 120.186 -0.605 . . . . 0.78000000000000003 110.258 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -60.95 -64.94 0.78 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.908 0.706 . . . . 1.5800000000000001 112.908 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.605 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 34.5 t80 -58.21 -51.78 68.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.132 0.492 . . . . 1.98 111.172 -174.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 25' ' ' ILE . 11.1 mp -61.0 -29.75 69.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.57 -0.741 . . . . 0.69999999999999996 111.743 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 25.6 t-80 -72.66 -42.44 64.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.652 0.263 . . . . 1.4099999999999999 110.539 177.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.18 -44.35 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.895 0.379 . . . . 1.98 110.296 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 -37.07 76.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.993 -0.548 . . . . 1.9199999999999999 109.994 175.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -60.5 -38.7 85.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.512 -0.767 . . . . 1.22 110.753 -178.424 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -83.25 -12.57 56.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.225 -0.443 . . . . 3.4900000000000002 110.905 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -97.86 -28.98 13.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.818 0.342 . . . . 2.6800000000000002 111.557 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.444 ' HA2' ' OE1' ' A' ' 43' ' ' GLN . . . 86.67 43.19 6.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.823 -0.703 . . . . 0.53000000000000003 111.931 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.74 -46.03 71.06 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.156 -0.545 . . . . 0.52000000000000002 113.47 -175.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.497 ' HG ' ' HB1' ' B' ' 56' ' ' ALA . 4.4 mm? -89.25 -100.23 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.92 0.341 . . . . 0.82999999999999996 111.92 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 t -142.3 164.23 30.69 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.254 -0.276 . . . . 1.4199999999999999 110.254 -176.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 47.3 m -60.58 -57.14 14.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.179 0.437 . . . . 1.6299999999999999 112.179 -173.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.08 -34.23 77.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 2.2000000000000002 110.41 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HB1' ' HA ' ' B' ' 56' ' ' ALA . . . -58.89 -40.1 83.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.616 -0.72 . . . . 0.54000000000000004 110.769 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 40' ' ' SER . 18.9 mt-30 -53.88 -68.02 0.21 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.572 -0.74 . . . . 1.5600000000000001 111.36 178.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.97 -34.51 59.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.855 -0.612 . . . . 2.3599999999999999 111.882 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.47 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 70.9 m -66.72 -33.84 76.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.458 0.17 . . . . 1.04 111.458 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.505 ' HB2' HD21 ' A' ' 33' ' ' LEU . 20.2 mt -69.07 -29.03 67.06 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.627 -0.429 . . . . 1.28 110.776 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.19 -39.51 92.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.203 -0.665 . . . . 1.76 109.203 175.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.1 t -65.61 -47.88 84.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.57 -0.741 . . . . 0.48999999999999999 109.749 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' B' ' 49' ' ' ALA . . . -57.33 -46.6 83.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.267 -0.879 . . . . 0.47999999999999998 111.419 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.35 -45.44 81.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.836 -0.62 . . . . 0.60999999999999999 111.676 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -76.69 -37.44 56.13 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.789 -0.364 . . . . 1.8400000000000001 111.808 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' B' ' 45' ' ' SER . 76.0 m -64.53 -38.65 91.75 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.457 0.646 . . . . 0.68999999999999995 109.503 174.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.45 -51.58 68.87 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.407 -0.815 . . . . 0.76000000000000001 109.463 170.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.919 ' HA ' ' O ' ' A' ' 57' ' ' PHE . 5.7 tt0 -57.11 -22.91 43.28 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.857 0.723 . . . . 1.6499999999999999 110.844 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 m -64.37 -45.57 87.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.159 -0.473 . . . . 1.1599999999999999 110.338 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.58 ' HA ' ' HB1' ' B' ' 42' ' ' ALA . . . -68.98 -73.07 0.16 Allowed 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.334 -0.987 . . . . 1.1499999999999999 108.334 170.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.919 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 3.5 p90 -138.6 -49.68 0.54 Allowed 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 108.369 -0.974 . . . . 2.0499999999999998 108.369 157.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.759 ' O ' ' HB1' ' A' ' 22' ' ' ALA . . . 54.26 -33.83 0.01 OUTLIER Glycine 0 C--O 1.217 -0.913 0 CA-C-N 114.039 -1.437 . . . . 2.6000000000000001 113.284 -164.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.791 HG23 HD12 ' A' ' 26' ' ' ILE . 2.7 t -176.85 -162.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 129.82 3.248 . . . . 1.3500000000000001 103.158 158.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.74 ' H ' HG12 ' A' ' 59' ' ' VAL . 43.9 p -135.39 159.42 41.63 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.193 -1.41 . . . . 2.3799999999999999 107.193 146.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.84 -24.76 35.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.32 0.581 . . . . 2.21 110.949 -172.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.3 -26.26 66.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.698 -0.683 . . . . 4.0099999999999998 111.494 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.69 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 8.9 t70 -78.54 -33.86 47.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 3.6200000000000001 109.72 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.543 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 26.6 t -63.59 -24.52 67.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.539 -0.755 . . . . 2.9100000000000001 109.511 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.45 -35.07 58.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.247 -0.888 . . . . 3.46 111.14 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 4.0 pp -76.14 -48.14 21.71 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.365 -0.534 . . . . 1.8700000000000001 110.263 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.52 ' N ' HD12 ' A' ' 66' ' ' LEU . . . 49.49 115.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.516 0.932 . . . . 1.53 113.516 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.5 156.27 89.06 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.707 -0.679 . . . . 1.55 110.27 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -43.63 -50.18 7.25 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.181 2.587 . . . . 2.7400000000000002 112.87 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -118.26 166.73 12.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 2.75 109.712 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.2 p -77.64 141.12 39.63 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.563 0.696 . . . . 1.55 110.168 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.713 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 3.2 mm? -64.04 -40.41 53.73 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 114.956 -1.02 . . . . 1.79 112.752 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.605 ' CG ' ' HB2' ' A' ' 28' ' ' PHE . 84.5 Cg_exo -45.86 -35.21 13.45 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.186 1.924 . . . . 1.0700000000000001 113.071 171.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.44 -39.59 74.28 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.199 0.523 . . . . 2.2799999999999998 110.146 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.465 HD12 HD13 ' A' ' 72' ' ' LEU . 55.0 mt -66.63 -35.34 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.289 0.566 . . . . 1.3799999999999999 109.763 175.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 14.3 m-30 -73.96 -16.84 61.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.762 -0.653 . . . . 2.3599999999999999 110.37 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 12.7 tp10 -78.64 -41.27 31.91 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.59 -0.732 . . . . 2.52 109.919 175.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.08 -49.95 7.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.941 -0.572 . . . . 0.65000000000000002 112.204 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.56 -49.78 6.12 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.293 0.479 . . . . 0.98999999999999999 112.293 -173.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -67.52 -5.98 17.66 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.846 0.684 . . . . 1.5600000000000001 112.846 -172.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -20.47 64.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.82 0.343 . . . . 2.3300000000000001 111.211 177.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.74 -154.21 10.46 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.331 -0.708 . . . . 2.5899999999999999 111.331 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.0 tttp . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.475 -0.774 . . . . 4.4100000000000001 109.791 175.645 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.767 0.317 . . . . 3.6800000000000002 110.283 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.38 104.04 4.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.148 -0.478 . . . . 2.4199999999999999 110.939 -178.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 26.7 p-10 -73.8 -18.78 60.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.191 -0.458 . . . . 2.52 110.368 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -71.04 -23.98 62.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.68 -0.691 . . . . 1.8899999999999999 112.228 -173.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.588 ' HA ' ' HB3' ' B' ' 22' ' ' ALA . 15.6 ptmt -86.48 -20.87 27.44 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.901 -0.32 . . . . 1.49 110.658 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.44 -39.93 52.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.503 -0.925 . . . . 2.3399999999999999 108.503 172.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 5.9 tp -60.9 -42.59 98.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.554 -1.203 . . . . 0.69999999999999996 109.374 168.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.659 ' HB1' ' C ' ' B' ' 58' ' ' GLY . . . -59.42 -46.21 89.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.084 -0.962 . . . . 0.82999999999999996 110.864 175.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.545 ' CE1' ' HA ' ' B' ' 64' ' ' SER . 86.6 t80 -51.73 -41.58 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.243 -0.89 . . . . 2.9900000000000002 110.301 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.722 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . . . -55.33 -45.54 76.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.433 -0.803 . . . . 1.1399999999999999 111.69 177.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.55 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 46.1 mt -75.46 -45.07 40.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.848 -1.069 . . . . 0.96999999999999997 111.038 -170.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.785 HD12 HG23 ' B' ' 59' ' ' VAL . 7.0 mt -64.54 -46.82 91.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 C-N-CA 120.317 -0.553 . . . . 0.78000000000000003 110.266 175.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -60.98 -65.09 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.868 0.692 . . . . 1.5800000000000001 112.868 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PHE . . . . . 0.612 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 34.9 t80 -58.19 -51.61 69.03 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.051 0.453 . . . . 1.98 111.236 -174.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' B' ' 25' ' ' ILE . 11.1 mp -61.02 -29.96 70.02 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.669 -0.696 . . . . 0.69999999999999996 111.712 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' B' ' 26' ' ' ILE . 25.5 t-80 -72.46 -42.5 64.92 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.718 0.294 . . . . 1.4099999999999999 110.616 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.21 -44.25 84.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 1.98 110.334 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -37.04 76.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 1.9299999999999999 110.022 175.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -60.58 -38.86 85.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 1.22 110.693 -178.466 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' B' ' 34' ' ' ARG . 25.0 tpt180 -83.13 -12.53 56.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.322 -0.399 . . . . 3.5 111.084 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -97.9 -28.92 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.725 0.298 . . . . 2.6899999999999999 111.58 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLY . . . . . 0.447 ' HA2' ' OE1' ' B' ' 43' ' ' GLN . . . 86.93 42.38 6.36 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.724 -0.75 . . . . 0.53000000000000003 112.123 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.12 -46.46 72.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.131 -0.557 . . . . 0.53000000000000003 113.293 -175.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.494 ' HG ' ' HB1' ' A' ' 56' ' ' ALA . 4.4 mm? -88.87 -101.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.603 -0.351 . . . . 0.82999999999999996 111.796 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.9 t -140.24 164.95 28.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.441 -0.207 . . . . 1.4199999999999999 110.441 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' SER . . . . . 0.57 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 44.6 m -60.96 -57.27 13.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.206 0.447 . . . . 1.6299999999999999 112.206 -174.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.97 -34.37 78.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.473 . . . . 2.21 110.403 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.58 ' HB1' ' HA ' ' A' ' 56' ' ' ALA . . . -58.56 -40.23 82.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.624 -0.716 . . . . 0.54000000000000004 110.796 175.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' B' ' 40' ' ' SER . 18.8 mt-30 -54.07 -67.43 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.704 -0.68 . . . . 1.5700000000000001 111.384 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.51 -34.24 61.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.96 -0.564 . . . . 2.3599999999999999 111.91 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 70.5 m -66.87 -33.77 76.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.504 0.187 . . . . 1.04 111.504 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.492 ' HB2' HD21 ' B' ' 33' ' ' LEU . 20.4 mt -69.12 -28.9 66.88 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.661 -0.416 . . . . 1.28 110.753 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.3 -39.53 93.29 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.285 -0.635 . . . . 1.75 109.285 175.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.3 t -65.55 -47.98 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.56 -0.745 . . . . 0.48999999999999999 109.727 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . . . -57.29 -46.58 83.02 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.299 -0.864 . . . . 0.47999999999999998 111.373 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 46.7 mt -56.28 -45.63 81.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.887 -0.597 . . . . 0.62 111.609 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.68 -37.27 56.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.882 -0.327 . . . . 1.8400000000000001 111.837 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 45' ' ' SER . 76.6 m -64.63 -38.67 91.8 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.583 0.706 . . . . 0.68999999999999995 109.483 174.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.44 ' HB3' ' HA3' ' B' ' 58' ' ' GLY . 19.9 mt -57.45 -51.77 68.1 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.4 -0.818 . . . . 0.76000000000000001 109.366 170.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.897 ' HA ' ' O ' ' B' ' 57' ' ' PHE . 5.8 tt0 -57.11 -22.85 42.88 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.932 0.77 . . . . 1.6599999999999999 110.737 -177.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -64.37 -45.26 88.48 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.182 -0.463 . . . . 1.1499999999999999 110.173 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.568 ' HA ' ' HB1' ' A' ' 42' ' ' ALA . . . -70.76 -70.21 0.32 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.778 -0.823 . . . . 1.1399999999999999 108.778 171.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' PHE . . . . . 0.897 ' O ' ' HA ' ' B' ' 54' ' ' GLU . 2.6 p90 -142.29 -39.64 0.36 Allowed 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.964 -0.562 . . . . 2.0600000000000001 110.202 153.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLY . . . . . 0.659 ' C ' ' HB1' ' B' ' 22' ' ' ALA . . . 34.71 -13.36 0.0 OUTLIER Glycine 0 C--N 1.309 -0.945 0 CA-C-N 112.879 -1.964 . . . . 2.6000000000000001 115.906 -161.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.785 HG23 HD12 ' B' ' 26' ' ' ILE . 2.7 t -179.7 -164.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.023 1 C-N-CA 132.506 4.323 . . . . 1.3500000000000001 102.744 151.217 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 60' ' ' THR . . . . . 0.701 ' H ' HG12 ' B' ' 59' ' ' VAL . 44.6 p -133.15 160.29 37.67 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.568 -1.253 . . . . 2.3799999999999999 107.935 142.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.64 -24.96 35.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 118.583 0.629 . . . . 2.21 110.933 -172.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.08 -26.39 66.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.704 -0.68 . . . . 4.0 111.486 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.676 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 9.0 t70 -78.37 -33.82 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.519 0.676 . . . . 3.6200000000000001 109.739 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.545 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 29.5 t -63.59 -24.66 67.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 2.9199999999999999 109.351 174.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -76.2 -34.92 59.28 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.222 -0.899 . . . . 3.46 111.085 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 4.0 pp -77.7 -44.83 26.67 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.008 -0.677 . . . . 1.8700000000000001 110.628 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.51 ' N ' HD12 ' B' ' 66' ' ' LEU . . . 47.2 115.71 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.747 1.018 . . . . 1.54 113.747 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.39 156.36 88.63 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.775 -0.648 . . . . 1.5600000000000001 110.412 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -44.18 -49.4 8.7 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.034 2.49 . . . . 2.75 112.939 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -118.56 166.78 12.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.65 -0.5 . . . . 2.7599999999999998 109.65 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.1 p -77.81 144.02 37.42 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.561 0.696 . . . . 1.55 109.707 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.722 ' HB2' ' HB2' ' B' ' 24' ' ' ALA . 3.3 mm? -66.51 -39.97 29.79 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.882 -1.053 . . . . 1.79 112.7 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.612 ' CG ' ' HB2' ' B' ' 28' ' ' PHE . 83.9 Cg_exo -45.79 -35.24 13.24 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.154 1.903 . . . . 1.0600000000000001 113.081 171.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.55 -39.49 73.94 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.173 0.511 . . . . 2.27 110.072 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.468 HD12 HD13 ' B' ' 72' ' ' LEU . 54.7 mt -66.73 -35.3 74.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.376 0.608 . . . . 1.3700000000000001 109.823 175.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 14.3 m-30 -73.78 -17.5 61.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.678 -0.692 . . . . 2.3700000000000001 110.347 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.437 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 12.3 tp10 -78.1 -41.22 35.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.542 -0.754 . . . . 2.5099999999999998 110.018 175.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.25 -50.12 7.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.968 -0.56 . . . . 0.64000000000000001 112.141 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.16 -50.14 6.0 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.395 0.517 . . . . 0.98999999999999999 112.395 -173.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -65.2 -9.5 23.97 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.949 0.722 . . . . 1.55 112.949 -173.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -19.76 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.706 0.288 . . . . 2.3300000000000001 111.251 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.87 -154.53 10.81 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.445 -0.662 . . . . 2.5899999999999999 111.445 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.319 -0.848 . . . . 4.4000000000000004 109.774 175.447 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 121.085 0.469 . . . . 2.4 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.625 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 17.5 p-10 -70.62 -20.28 62.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 2.52 109.518 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.46 -27.25 69.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.333 -0.849 . . . . 1.9 111.154 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HE3' ' OD2' ' A' ' 63' ' ' ASP . 18.6 mtmt -66.45 -49.42 66.75 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.544 0.688 . . . . 1.49 109.331 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -62.4 -38.68 90.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.473 -1.239 . . . . 2.34 109.725 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.7 tp -53.83 -55.53 25.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.477 -0.783 . . . . 0.7 110.337 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -61.33 -52.89 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.735 -0.666 . . . . 0.83 111.503 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.609 ' OH ' ' HB2' ' A' ' 64' ' ' SER . 77.5 t80 -67.74 -39.1 84.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.147 0.425 . . . . 2.99 112.147 -172.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.08 83.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.089 0.471 . . . . 1.14 110.148 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.9 mt -68.66 -39.81 80.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.675 -0.693 . . . . 0.97 110.025 173.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 22' ' ' ALA . 41.2 mt -53.42 -47.08 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.209 -0.45 . . . . 0.78 111.055 174.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -64.07 -49.83 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 1.58 111.379 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 68.6 t80 -63.74 -44.79 92.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.246 -0.434 . . . . 1.98 110.695 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.574 HD23 HD11 ' A' ' 46' ' ' LEU . 7.5 mp -67.18 -32.32 73.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.7 111.034 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.44 -53.98 51.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.539 . . . . 1.41 110.767 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.91 -23.43 41.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.936 -0.575 . . . . 1.98 111.187 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.35 -37.81 83.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.073 -0.714 . . . . 1.92 109.073 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -47.18 87.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.948 -1.024 . . . . 1.22 109.529 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -64.28 -40.05 95.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.395 -0.82 . . . . 3.49 110.767 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -72.75 -22.21 60.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.111 -0.495 . . . . 2.68 111.199 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.85 38.79 18.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.091 -0.576 . . . . 0.53 112.274 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.31 -48.58 85.45 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.096 -0.574 . . . . 0.52 112.562 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 38' ' ' LEU . 2.9 mm? -86.13 -176.22 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.858 0.361 . . . . 0.83 110.428 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 m -83.14 173.66 11.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.223 -0.444 . . . . 1.42 110.146 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -57.0 -59.69 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.758 0.281 . . . . 1.63 111.758 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.55 -36.78 83.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.017 0.436 . . . . 2.2 110.411 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -61.89 -48.94 78.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.58 -0.736 . . . . 0.54 110.666 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.5 -58.15 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 1.56 111.584 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -48.95 -46.95 44.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.392 -0.822 . . . . 2.36 111.93 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 t -67.18 -37.2 83.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.455 0.645 . . . . 1.04 110.076 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.574 HD11 HD23 ' A' ' 29' ' ' LEU . 28.6 tp -64.67 -37.87 89.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.358 -0.837 . . . . 1.28 110.888 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.07 -42.47 98.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 1.76 110.036 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.94 -43.2 98.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.766 -0.652 . . . . 0.49 109.751 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.38 80.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.744 -0.662 . . . . 0.48 111.242 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 46' ' ' LEU . 85.4 mt -54.88 -54.59 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 0.61 111.043 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -66.91 -28.23 68.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 1.84 111.249 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.5 m -74.64 -42.11 59.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.368 -0.378 . . . . 0.69 110.475 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.81 -40.14 94.21 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.734 0.302 . . . . 0.76 110.589 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -56.29 -48.02 77.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 1.65 110.358 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 m -76.24 -31.03 58.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.699 -0.682 . . . . 1.16 111.294 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.554 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -63.44 -59.19 4.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 1.15 111.86 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -77.63 -7.39 56.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.032 0.444 . . . . 2.05 110.807 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.06 31.87 72.61 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.744 -0.662 . . . . 2.6 111.931 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.3 m -94.85 163.03 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.792 0.329 . . . . 1.35 110.74 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 p -142.47 -172.04 3.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.907 -0.588 . . . . 2.38 110.282 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.7 p -74.78 -6.23 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.842 0.83 . . . . 2.21 110.09 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.22 -25.44 67.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.083 -0.71 . . . . 4.01 109.083 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.49 ' OD2' ' HE3' ' A' ' 19' ' ' LYS . 9.1 m-20 -72.89 -10.43 59.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.293 -0.867 . . . . 3.62 110.264 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.609 ' HB2' ' OH ' ' A' ' 23' ' ' TYR . 22.6 t -80.56 -33.1 36.41 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.173 -0.677 . . . . 2.91 109.173 173.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.71 -35.6 80.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.748 -0.66 . . . . 3.46 110.24 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 pp -104.09 23.7 12.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 1.87 110.976 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 64' ' ' SER . . . -61.11 144.63 53.19 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.999 0.428 . . . . 1.53 111.106 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.499 HD12 HD21 ' A' ' 72' ' ' LEU . 90.2 mt -79.41 150.21 73.31 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.876 -0.602 . . . . 1.55 110.16 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -40.04 -51.05 3.26 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.92 3.08 . . . . 2.74 113.704 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.88 154.74 26.98 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.106 -0.701 . . . . 2.75 109.106 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.6 p -71.76 140.15 49.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.444 0.64 . . . . 1.55 109.375 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 68' ' ' LEU . 56.4 mt -63.67 -37.7 31.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.031 -0.986 . . . . 1.79 113.544 -172.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.525 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 58.2 Cg_exo -45.09 -37.46 12.92 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.0 1.8 . . . . 1.07 113.142 171.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.11 -48.7 79.0 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.163 0.506 . . . . 2.28 110.244 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.44 -37.95 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.682 -0.69 . . . . 1.38 110.212 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 13.1 m-30 -66.29 -36.46 83.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 2.36 110.648 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.631 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 42.8 mt-10 -66.85 -20.56 65.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 2.52 110.955 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.94 -59.77 2.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.349 -0.387 . . . . 0.65 111.156 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.07 -40.3 68.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.084 0.772 . . . . 0.99 113.084 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -79.46 -30.12 42.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.892 0.377 . . . . 1.56 111.196 -175.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -80.72 -29.04 36.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.262 0.553 . . . . 2.33 110.638 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.81 98.49 0.49 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.982 -0.628 . . . . 2.59 111.923 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.654 -0.688 . . . . 4.41 109.893 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 21.2 mmt . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.933 0.397 . . . . 3.68 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.34 77.13 9.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.149 0.5 . . . . 2.42 110.767 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.631 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 17.3 p-10 -71.2 -20.14 62.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.968 -0.56 . . . . 2.52 109.612 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.53 -27.3 69.17 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.207 -0.906 . . . . 1.89 111.163 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.502 ' HE3' ' OD2' ' B' ' 63' ' ' ASP . 18.7 mtmt -66.35 -49.46 66.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 121.673 0.749 . . . . 1.49 109.379 175.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -62.36 -38.6 90.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.492 -1.231 . . . . 2.34 109.836 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 28.6 tp -53.87 -55.51 26.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.475 -0.784 . . . . 0.7 110.299 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.44 ' O ' HG13 ' B' ' 26' ' ' ILE . . . -61.34 -52.96 62.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.667 -0.697 . . . . 0.83 111.432 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.61 ' OH ' ' HB2' ' B' ' 64' ' ' SER . 77.5 t80 -67.72 -39.07 84.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.199 0.444 . . . . 2.99 112.199 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.01 82.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 1.14 110.179 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 32.4 mt -68.77 -39.87 80.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.55 -0.75 . . . . 0.97 109.85 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.44 HG13 ' O ' ' B' ' 22' ' ' ALA . 41.4 mt -53.41 -47.02 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.309 -0.405 . . . . 0.78 111.055 174.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -64.15 -49.66 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 1.58 111.491 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.433 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 68.9 t80 -63.96 -44.47 92.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.123 -0.489 . . . . 1.98 110.816 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.59 HD23 HD11 ' B' ' 46' ' ' LEU . 7.5 mp -67.39 -32.4 73.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 0.7 110.933 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -56.38 -53.97 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.528 . . . . 1.41 110.734 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.87 -23.33 41.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 1.98 111.324 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.56 -37.69 83.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.016 -0.735 . . . . 1.93 109.016 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -46.97 88.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.874 -1.057 . . . . 1.22 109.625 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -64.74 -39.66 94.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.281 -0.872 . . . . 3.5 110.696 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -73.24 -21.9 60.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.095 -0.502 . . . . 2.69 111.066 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.73 38.58 19.81 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.078 -0.582 . . . . 0.53 112.345 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.28 -48.41 86.28 Favored Glycine 0 C--N 1.329 0.161 0 C-N-CA 121.023 -0.608 . . . . 0.53 112.554 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.436 HD22 ' N ' ' B' ' 38' ' ' LEU . 2.9 mm? -85.97 -175.91 5.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.756 0.313 . . . . 0.83 110.476 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.4 m -83.52 173.66 11.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.323 -0.399 . . . . 1.42 110.001 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -57.1 -59.46 5.04 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.815 0.302 . . . . 1.63 111.815 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.47 -36.98 84.18 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.983 0.421 . . . . 2.21 110.39 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -61.79 -49.02 78.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.458 -0.792 . . . . 0.54 110.629 177.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -55.47 -58.19 8.8 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.892 -0.594 . . . . 1.57 111.604 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -48.75 -46.88 41.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.407 -0.815 . . . . 2.36 112.045 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -67.29 -37.25 83.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.457 0.646 . . . . 1.04 110.055 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.59 HD11 HD23 ' B' ' 29' ' ' LEU . 28.5 tp -64.57 -37.88 89.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.323 -0.853 . . . . 1.28 110.911 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.2 -42.33 98.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.074 -0.512 . . . . 1.75 110.036 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.07 -43.04 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.828 -0.624 . . . . 0.49 109.764 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.68 -44.3 81.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.649 . . . . 0.48 111.173 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 46' ' ' LEU . 85.3 mt -54.81 -54.63 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.073 0.464 . . . . 0.62 111.068 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.69 -28.52 68.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.646 -0.706 . . . . 1.84 111.246 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.1 m -74.71 -41.93 59.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.336 -0.393 . . . . 0.69 110.404 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.75 -40.3 94.63 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.877 0.37 . . . . 0.76 110.596 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.17 -48.33 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.691 -0.686 . . . . 1.66 110.231 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -75.88 -31.45 59.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.704 -0.68 . . . . 1.15 111.189 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.499 ' O ' ' HB1' ' A' ' 42' ' ' ALA . . . -63.16 -59.19 5.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.934 -0.576 . . . . 1.14 111.756 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -77.59 -7.53 56.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.039 0.447 . . . . 2.06 110.833 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.2 31.88 72.16 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.755 -0.657 . . . . 2.6 111.882 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.9 162.42 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.76 0.314 . . . . 1.35 110.851 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 31.6 p -141.62 -171.91 3.42 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.93 -0.577 . . . . 2.38 110.363 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 p -74.65 -6.25 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.944 0.878 . . . . 2.21 110.339 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.28 -25.4 67.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.1 -0.704 . . . . 4.0 109.1 172.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.502 ' OD2' ' HE3' ' B' ' 19' ' ' LYS . 8.9 m-20 -72.87 -10.49 59.85 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.173 -0.921 . . . . 3.62 110.261 175.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.61 ' HB2' ' OH ' ' B' ' 23' ' ' TYR . 22.8 t -80.57 -33.17 36.28 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.115 -0.698 . . . . 2.92 109.115 173.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.61 -35.65 80.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.721 -0.672 . . . . 3.46 110.303 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 pp -103.98 23.38 13.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 1.87 111.012 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' B' ' 64' ' ' SER . . . -60.82 144.76 51.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 1.54 111.109 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.494 HD12 HD21 ' B' ' 72' ' ' LEU . 89.8 mt -79.58 150.25 72.82 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.87 -0.605 . . . . 1.56 110.248 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -40.62 -49.92 4.02 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.96 3.106 . . . . 2.75 113.846 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -114.71 154.77 27.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.02 -0.733 . . . . 2.76 109.02 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 36.7 p -71.84 143.63 49.38 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.878 -0.786 . . . . 1.55 108.878 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.494 HD21 HD12 ' B' ' 68' ' ' LEU . 56.4 mt -66.57 -37.35 14.97 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.104 -0.953 . . . . 1.79 113.292 -171.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.525 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 60.6 Cg_exo -45.01 -37.43 12.5 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.064 1.843 . . . . 1.06 113.206 171.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.21 -48.72 78.74 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.105 0.479 . . . . 2.27 110.231 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.4 -38.05 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.63 -0.714 . . . . 1.37 110.189 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 13.2 m-30 -66.17 -36.59 83.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.018 -0.537 . . . . 2.37 110.559 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.625 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 43.1 mt-10 -66.65 -21.86 66.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 2.51 110.866 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.81 -60.5 1.94 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.036 0.446 . . . . 0.64 111.406 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.93 -40.21 68.9 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.12 0.785 . . . . 0.99 113.12 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -79.43 -30.25 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.822 0.344 . . . . 1.55 111.211 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -80.73 -28.72 36.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.154 0.502 . . . . 2.33 110.659 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.97 98.52 0.48 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.885 -0.674 . . . . 2.59 111.951 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.658 -0.687 . . . . 4.4 109.853 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 51.9 m-20 . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 121.034 0.445 . . . . 2.4 110.95 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.559 ' CG ' ' HA ' ' B' ' 81' ' ' THR . 8.2 t30 -78.13 -4.49 47.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.53 0.681 . . . . 2.52 109.672 177.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 22.6 mmtp -57.18 -28.53 62.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.007 -0.997 . . . . 1.9 111.073 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 16' ' ' ASP . 4.3 ptpp? -64.12 -47.18 80.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.429 . . . . 1.49 111.205 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.464 ' HD2' ' OD1' ' A' ' 17' ' ' ASN . 89.1 mtt180 -65.26 -29.84 70.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.3 0.571 . . . . 2.34 109.755 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.525 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 21.7 tp -59.01 -55.81 30.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.189 -0.914 . . . . 0.7 110.235 174.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -44.05 97.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.83 111.122 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.75 -51.72 59.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.767 -0.651 . . . . 2.99 111.356 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.606 ' HB1' ' HD3' ' A' ' 73' ' ' PRO . . . -65.33 -34.25 77.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.115 -0.493 . . . . 1.14 111.377 -177.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 21' ' ' LEU . 79.0 mt -63.37 -46.97 94.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.572 -0.74 . . . . 0.97 109.679 175.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -53.22 -46.25 56.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 0.78 110.52 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -62.91 -53.69 50.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.315 -0.857 . . . . 1.58 112.181 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.552 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 74.5 t80 -67.58 -48.52 66.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.808 0.337 . . . . 1.98 111.039 -176.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.3 mp -59.42 -33.56 71.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 0.7 111.041 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -55.3 -58.14 8.94 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.031 0.443 . . . . 1.41 110.902 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -40.25 70.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 1.98 111.235 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.12 -38.24 79.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.301 0.572 . . . . 1.92 110.438 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.665 HD21 ' O ' ' A' ' 43' ' ' GLN . 1.3 tm? -64.68 -44.31 90.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.396 -0.82 . . . . 1.22 110.214 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -81.12 -2.46 48.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.865 -0.607 . . . . 3.49 110.935 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -98.71 -5.72 30.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 2.68 110.256 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.74 37.92 61.17 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.98 -0.629 . . . . 0.53 112.166 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.11 -55.05 32.73 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.083 -0.58 . . . . 0.52 112.827 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.481 HD23 HD11 ' A' ' 46' ' ' LEU . 3.0 mm? -92.5 -177.66 4.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.926 -0.161 . . . . 0.83 110.653 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -73.45 -179.75 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.69 -0.232 . . . . 1.42 110.906 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 t -64.87 -53.64 43.52 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.382 -0.198 . . . . 1.63 111.398 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.83 -42.99 94.76 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.174 0.512 . . . . 2.2 110.155 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.623 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -66.58 -34.59 78.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.104 -0.953 . . . . 0.54 110.939 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.665 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.9 tt0 -58.44 -51.5 69.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 1.56 110.508 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.39 -32.15 69.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.816 -0.629 . . . . 2.36 110.585 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -73.82 -35.68 64.88 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.649 -0.705 . . . . 1.04 111.452 -175.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.65 HD12 HD23 ' A' ' 33' ' ' LEU . 16.9 mt -61.58 -45.71 92.97 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 120.814 -0.354 . . . . 1.28 110.059 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.3 -46.69 69.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.526 -0.761 . . . . 1.76 110.587 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.09 -44.21 88.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.49 110.265 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.84 -38.63 79.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.964 -0.562 . . . . 0.48 111.547 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 46' ' ' LEU . 86.0 mt -56.85 -55.71 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.725 0.298 . . . . 0.61 110.737 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -61.95 -35.01 77.17 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.305 -0.407 . . . . 1.84 111.504 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.8 m -65.5 -49.25 69.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.566 -0.288 . . . . 0.69 110.903 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.25 -41.18 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.67 0.271 . . . . 0.76 110.807 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -56.47 -52.85 63.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.038 -0.528 . . . . 1.65 110.631 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 m -68.22 -31.99 71.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.697 -0.683 . . . . 1.16 111.308 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.653 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -73.9 -43.45 58.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.084 -0.507 . . . . 1.15 112.158 -175.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -82.84 -20.29 35.92 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.995 0.426 . . . . 2.05 110.82 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.61 32.77 40.49 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.759 -0.655 . . . . 2.6 111.836 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.96 158.36 8.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.723 0.297 . . . . 1.35 111.269 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 p -141.52 -170.45 3.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.944 -0.571 . . . . 2.38 110.017 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.3 p -63.18 -15.2 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.347 0.594 . . . . 2.21 110.934 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -63.07 -23.73 67.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.186 0.517 . . . . 4.01 110.198 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -71.54 -23.56 61.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.432 0.634 . . . . 3.62 109.385 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 t -71.93 -26.55 62.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.639 -0.71 . . . . 2.91 109.806 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.6 -41.06 93.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 3.46 110.038 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 pp -95.77 25.71 4.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.908 -0.587 . . . . 1.87 111.129 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.23 159.67 14.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.278 0.561 . . . . 1.53 111.76 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.536 HD12 HD21 ' A' ' 72' ' ' LEU . 93.0 mt -86.43 158.49 54.6 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.623 -0.717 . . . . 1.55 110.669 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -43.15 -49.79 6.92 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.197 2.598 . . . . 2.74 113.107 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -112.18 172.84 6.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.206 -0.452 . . . . 2.75 109.793 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.1 p -81.64 143.25 32.05 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.266 0.555 . . . . 1.55 110.068 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.56 HD23 ' HB2' ' A' ' 24' ' ' ALA . 3.5 mm? -69.07 -42.89 23.76 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.603 -0.726 . . . . 1.79 111.787 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.606 ' HD3' ' HB1' ' A' ' 24' ' ' ALA . 91.6 Cg_exo -42.53 -42.18 8.14 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.54 2.16 . . . . 1.07 112.709 170.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.4 -43.72 93.53 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.25 -0.432 . . . . 2.28 110.684 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.482 HD12 HD13 ' A' ' 72' ' ' LEU . 44.7 mt -63.5 -35.52 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.201 0.524 . . . . 1.38 110.059 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.566 ' HA ' ' HB3' ' A' ' 80' ' ' ALA . 19.3 m-30 -66.99 -27.06 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.694 -0.685 . . . . 2.36 111.056 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 46.2 mt-10 -84.21 -27.94 27.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.842 0.353 . . . . 2.52 110.727 178.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.433 ' O ' HG22 ' A' ' 81' ' ' THR . . . -89.58 -62.01 1.57 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.274 -0.421 . . . . 0.65 111.995 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.99 -44.9 11.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.877 0.37 . . . . 0.99 111.36 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 76' ' ' PHE . . . -72.25 -4.77 31.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.209 -0.451 . . . . 1.56 112.104 -175.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.587 ' HA ' ' CG ' ' B' ' 17' ' ' ASN . 6.4 t -76.23 -13.88 60.16 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.509 -0.476 . . . . 2.33 110.357 176.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.1 -87.21 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.909 -0.662 . . . . 2.59 111.928 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.172 -0.677 . . . . 4.41 109.172 179.327 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.295 -0.261 . . . . 3.68 110.295 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 53.5 m-20 -114.34 77.99 1.11 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.954 0.407 . . . . 2.42 110.932 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.587 ' CG ' ' HA ' ' A' ' 81' ' ' THR . 8.1 t30 -77.5 -5.41 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.613 0.72 . . . . 2.52 109.723 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 22.4 mmtp -56.42 -28.71 60.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.962 -1.017 . . . . 1.89 111.167 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' B' ' 16' ' ' ASP . 4.3 ptpp? -64.07 -47.19 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 1.49 111.259 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.463 ' HD2' ' OD1' ' B' ' 17' ' ' ASN . 89.1 mtt180 -65.1 -30.0 70.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.398 0.618 . . . . 2.34 109.814 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.522 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 21.9 tp -58.85 -56.03 27.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.14 -0.936 . . . . 0.7 110.213 174.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.1 97.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.83 111.138 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.8 -51.61 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.745 -0.662 . . . . 2.99 111.364 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.608 ' HB1' ' HD3' ' B' ' 73' ' ' PRO . . . -65.34 -34.33 78.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.161 0.505 . . . . 1.14 111.341 -177.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 21' ' ' LEU . 79.2 mt -63.47 -46.82 94.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.462 -0.79 . . . . 0.97 109.687 175.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.25 -46.28 56.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.963 -0.562 . . . . 0.78 110.487 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -63.01 -53.6 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.321 -0.854 . . . . 1.58 112.19 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.551 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 74.6 t80 -67.59 -48.56 66.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.73 0.3 . . . . 1.98 111.025 -176.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.613 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.4 mp -59.28 -33.59 71.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 0.7 111.116 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -55.27 -58.27 8.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 1.41 110.913 176.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.12 -40.38 71.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 1.98 111.26 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.21 -38.14 79.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.253 0.549 . . . . 1.93 110.305 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.677 HD21 ' O ' ' B' ' 43' ' ' GLN . 1.3 tm? -64.76 -44.07 91.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.533 -0.758 . . . . 1.22 110.271 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -81.09 -2.88 50.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.927 -0.579 . . . . 3.5 111.076 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -98.41 -5.79 31.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 2.69 110.4 174.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.77 37.78 61.11 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.79 -0.641 . . . . 0.53 112.185 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.94 -54.9 33.78 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.207 -0.52 . . . . 0.53 112.844 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.487 HD23 HD11 ' B' ' 46' ' ' LEU . 3.0 mm? -92.65 -177.49 4.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.471 0.177 . . . . 0.83 110.607 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -73.61 -179.77 3.72 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.658 -0.246 . . . . 1.42 110.941 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.7 t -64.79 -53.71 42.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.541 0.21 . . . . 1.63 111.35 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.83 -42.83 94.43 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.423 0.63 . . . . 2.21 110.151 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.653 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -66.65 -34.58 78.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.031 -0.986 . . . . 0.54 111.027 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.677 ' O ' HD21 ' B' ' 33' ' ' LEU . 9.0 tt0 -58.65 -51.32 70.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.503 -0.771 . . . . 1.57 110.495 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.43 -32.19 69.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.89 -0.595 . . . . 2.36 110.646 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.1 t -73.74 -35.59 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.632 -0.713 . . . . 1.04 111.506 -175.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.664 HD12 HD23 ' B' ' 33' ' ' LEU . 16.7 mt -61.7 -45.73 92.72 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.802 -0.359 . . . . 1.28 110.087 176.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.32 -46.59 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.455 -0.793 . . . . 1.75 110.616 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.07 -44.31 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.054 -0.521 . . . . 0.49 110.302 177.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.61 78.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.915 -0.584 . . . . 0.48 111.601 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 46' ' ' LEU . 86.3 mt -56.79 -55.54 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.746 0.308 . . . . 0.62 110.789 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -62.02 -35.21 77.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 1.84 111.454 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.0 m -65.31 -49.26 70.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.489 -0.323 . . . . 0.69 110.912 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.24 -41.23 99.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.626 0.25 . . . . 0.76 110.835 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -56.46 -52.93 62.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.024 -0.534 . . . . 1.66 110.608 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -68.11 -32.11 72.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.744 -0.662 . . . . 1.15 111.248 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.623 ' O ' ' HB1' ' A' ' 42' ' ' ALA . . . -73.79 -43.41 58.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.175 -0.466 . . . . 1.14 112.249 -175.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -82.89 -20.18 35.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.077 0.465 . . . . 2.06 110.756 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.38 33.03 40.7 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.638 -0.71 . . . . 2.6 111.803 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.07 158.11 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.764 0.316 . . . . 1.35 111.251 -175.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -141.39 -171.1 3.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.843 -0.617 . . . . 2.38 110.058 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.7 p -62.64 -15.16 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.263 0.554 . . . . 2.21 111.004 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.16 -23.62 67.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.193 0.52 . . . . 4.0 110.325 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -71.5 -23.79 61.86 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.231 -0.655 . . . . 3.62 109.231 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 9.8 t -71.61 -26.94 62.79 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.752 -0.658 . . . . 2.92 109.739 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.1 -41.35 95.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.971 -0.559 . . . . 3.46 110.028 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -95.65 25.65 4.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 1.87 111.093 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 159.58 14.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.324 0.583 . . . . 1.54 111.761 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.511 HD12 HD21 ' B' ' 72' ' ' LEU . 92.8 mt -86.35 158.29 55.06 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.585 -0.734 . . . . 1.56 110.718 -178.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -43.13 -49.38 7.2 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.205 2.603 . . . . 2.75 113.303 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -112.35 173.01 6.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 2.76 109.799 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 33.0 p -81.73 145.11 30.67 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.31 0.576 . . . . 1.55 109.843 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' B' ' 24' ' ' ALA . 3.5 mm? -70.55 -42.88 15.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.624 -0.716 . . . . 1.79 111.655 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.608 ' HD3' ' HB1' ' B' ' 24' ' ' ALA . 91.1 Cg_exo -42.6 -41.97 8.25 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.473 2.115 . . . . 1.06 112.706 170.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.51 -43.79 92.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 2.27 110.663 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.503 HD12 HD13 ' B' ' 72' ' ' LEU . 44.9 mt -63.38 -35.76 73.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.192 0.52 . . . . 1.37 110.021 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.58 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 19.3 m-30 -66.76 -27.5 67.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.642 -0.708 . . . . 2.37 110.987 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.2 mt-10 -83.36 -29.13 28.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.958 0.409 . . . . 2.51 110.8 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.431 ' O ' HG22 ' B' ' 81' ' ' THR . . . -88.05 -62.48 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.25 0.463 . . . . 0.64 112.25 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.97 -45.27 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.916 0.388 . . . . 0.99 111.391 -174.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.58 ' HB3' ' HA ' ' B' ' 76' ' ' PHE . . . -69.7 -9.46 54.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.011 -0.541 . . . . 1.55 112.193 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.559 ' HA ' ' CG ' ' A' ' 17' ' ' ASN . 6.0 t -73.23 -13.92 61.24 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.542 -0.463 . . . . 2.33 110.667 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.26 -87.12 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.798 -0.715 . . . . 2.59 112.059 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.094 -0.706 . . . . 4.4 109.094 179.325 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.855 0.36 . . . . 2.4 110.601 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.15 -24.93 54.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.298 -0.41 . . . . 2.52 110.078 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -51.32 -46.67 62.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.833 -0.621 . . . . 1.9 111.645 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HB2' HG12 ' A' ' 59' ' ' VAL . 13.3 ptmm? -71.09 -42.49 69.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.434 . . . . 1.49 111.453 -176.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.79 -33.94 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.098 0.475 . . . . 2.34 110.615 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.1 tp -58.16 -50.35 73.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.605 -0.725 . . . . 0.7 110.492 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.492 ' HB2' ' CD1' ' A' ' 57' ' ' PHE . . . -61.31 -49.86 75.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.83 110.837 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 22.1 t80 -55.36 -48.15 74.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.815 -0.629 . . . . 2.99 111.622 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.687 ' HB2' HD23 ' A' ' 72' ' ' LEU . . . -58.9 -42.84 90.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.056 -0.52 . . . . 1.14 111.294 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.0 mt -69.32 -36.48 72.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.55 -0.75 . . . . 0.97 110.311 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 22' ' ' ALA . 52.0 mt -57.18 -49.64 79.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 0.78 110.928 174.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.497 ' O ' ' HB3' ' A' ' 30' ' ' HIS . 15.7 mm100 -71.33 -37.65 71.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 1.58 111.769 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.422 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 65.2 t80 -70.13 -48.27 58.19 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.697 -0.401 . . . . 1.98 110.547 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.5 mp -66.56 -23.92 66.28 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.299 -0.41 . . . . 0.7 110.559 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.497 ' HB3' ' O ' ' A' ' 27' ' ' GLN . 29.8 t-80 -57.6 -55.38 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.263 0.554 . . . . 1.41 110.72 173.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.15 -39.32 49.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.829 -0.623 . . . . 1.98 110.977 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -59.75 -30.5 68.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 1.92 110.385 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.687 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -64.0 -50.44 68.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 1.22 109.868 177.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -71.68 -25.33 62.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.72 . . . . 3.49 111.215 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -85.13 -10.93 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.738 0.304 . . . . 2.68 111.499 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.14 43.53 63.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.958 -0.639 . . . . 0.53 111.961 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.43 -45.55 92.84 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.426 -0.416 . . . . 0.52 113.542 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.77 -106.13 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.934 0.367 . . . . 0.83 111.57 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.596 ' H ' ' HB3' ' A' ' 42' ' ' ALA . 22.7 t -141.71 -177.12 5.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.669 -0.242 . . . . 1.42 110.363 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.5 t -65.63 -55.91 15.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.653 0.264 . . . . 1.63 111.061 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.04 -27.09 68.87 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.207 0.527 . . . . 2.2 110.53 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.596 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -72.67 -35.22 67.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.723 -0.672 . . . . 0.54 110.824 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.499 ' O ' HD21 ' A' ' 33' ' ' LEU . 15.9 mt-30 -57.97 -62.38 1.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.995 -0.548 . . . . 1.56 111.427 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.37 -34.78 58.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.938 -0.573 . . . . 2.36 111.271 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.2 m -67.46 -39.16 85.3 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.655 -0.248 . . . . 1.04 111.145 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.636 ' HB2' HD23 ' A' ' 33' ' ' LEU . 36.3 mt -61.71 -48.51 80.43 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 110.075 -0.343 . . . . 1.28 110.075 177.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.16 -44.52 83.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 1.76 110.851 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.69 -45.11 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.374 -0.375 . . . . 0.49 110.45 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.56 92.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.48 111.37 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 46' ' ' LEU . 87.5 mt -55.92 -48.6 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.402 . . . . 0.61 110.448 177.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -67.89 -37.68 82.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.018 -0.537 . . . . 1.84 110.882 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.0 m -64.52 -47.73 77.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.398 . . . . 0.69 110.89 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.8 -31.45 72.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.605 -0.27 . . . . 0.76 110.716 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.68 -55.07 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 1.65 110.218 176.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.2 m -69.79 -30.16 67.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.456 . . . . 1.16 111.012 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.05 -61.76 2.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 1.15 111.74 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 22' ' ' ALA . 92.3 m-85 -79.97 -12.0 59.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.124 0.487 . . . . 2.05 110.883 -178.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.74 38.71 49.78 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.533 -0.758 . . . . 2.6 111.401 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.417 HG12 ' HB2' ' A' ' 19' ' ' LYS . 26.8 m -101.23 155.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.922 0.391 . . . . 1.35 111.456 -174.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.1 p -141.21 -170.81 3.14 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.637 -0.71 . . . . 2.38 109.745 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.83 -9.28 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.49 0.662 . . . . 2.21 110.673 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.18 -28.32 69.58 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.27 0.557 . . . . 4.01 110.025 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -69.39 -23.1 63.68 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 115.686 -0.688 . . . . 3.62 109.497 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 8.5 t -70.89 -31.87 68.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.89 -0.596 . . . . 2.91 109.986 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -68.39 -28.99 67.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.501 . . . . 3.46 110.852 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 pp -106.07 23.22 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.336 -0.393 . . . . 1.87 110.933 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.68 145.06 55.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 1.53 112.127 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.437 HD12 HD21 ' A' ' 72' ' ' LEU . 94.1 mt -72.48 155.39 91.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.256 -0.884 . . . . 1.55 109.784 175.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -45.27 -48.1 11.86 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.813 3.009 . . . . 2.74 113.676 -173.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -120.49 169.44 10.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.658 -0.246 . . . . 2.75 110.412 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -69.56 140.13 53.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.263 0.554 . . . . 1.55 110.094 174.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.687 HD23 ' HB2' ' A' ' 24' ' ' ALA . 3.5 mm? -80.33 -35.38 0.88 Allowed Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.024 1.12 . . . . 1.79 114.024 -172.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 83.8 Cg_exo -48.33 -35.52 27.78 Favored 'Trans proline' 0 C--N 1.355 0.897 0 CA-C-N 121.068 1.417 . . . . 1.07 112.652 172.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.37 -43.94 80.18 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.975 0.417 . . . . 2.28 110.174 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.28 -40.55 78.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.864 -0.607 . . . . 1.38 110.159 173.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 73' ' ' PRO . 14.2 m-30 -61.9 -43.11 99.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.804 -0.634 . . . . 2.36 110.454 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 47.5 mt-10 -61.44 -26.96 68.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.94 0.4 . . . . 2.52 111.071 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.78 -49.03 7.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.65 111.818 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.55 -45.14 12.89 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.542 0.571 . . . . 0.99 112.542 -172.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -65.44 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.323 -0.399 . . . . 1.56 111.813 -171.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 t -85.95 5.14 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.906 0.384 . . . . 2.33 110.656 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.22 -22.3 63.28 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.893 -0.67 . . . . 2.59 112.249 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 119.108 -0.472 . . . . 4.41 110.236 179.839 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' B' ' 15' ' ' MET . 1.7 mpt? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.937 -0.394 . . . . 3.68 109.937 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.84 114.86 18.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.305 -0.407 . . . . 2.42 110.654 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -76.59 -24.74 53.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.302 -0.408 . . . . 2.52 109.976 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -51.31 -46.67 62.62 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.758 -0.655 . . . . 1.89 111.551 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.421 ' HB2' HG12 ' B' ' 59' ' ' VAL . 13.2 ptmm? -71.25 -42.36 68.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 1.49 111.438 -176.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.88 -33.87 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.057 0.456 . . . . 2.34 110.577 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 17.9 tp -58.22 -50.24 74.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.632 -0.713 . . . . 0.7 110.393 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.489 ' HB2' ' CD1' ' B' ' 57' ' ' PHE . . . -61.45 -49.76 75.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.959 -0.564 . . . . 0.83 110.75 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 21.7 t80 -55.48 -48.09 75.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.875 -0.602 . . . . 2.99 111.562 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.68 ' HB2' HD23 ' B' ' 72' ' ' LEU . . . -58.95 -42.81 90.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.196 0.522 . . . . 1.14 111.295 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.41 -36.46 71.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.488 -0.778 . . . . 0.97 110.317 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.445 HG13 ' O ' ' B' ' 22' ' ' ALA . 51.4 mt -57.2 -49.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 0.78 110.934 174.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.496 ' O ' ' HB3' ' B' ' 30' ' ' HIS . 15.7 mm100 -71.38 -37.7 71.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.404 -0.362 . . . . 1.58 111.791 -176.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.425 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 65.5 t80 -70.1 -48.32 58.12 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.776 -0.37 . . . . 1.98 110.511 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.659 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.5 mp -66.57 -23.75 66.25 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.344 -0.389 . . . . 0.7 110.601 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' B' ' 27' ' ' GLN . 30.2 t-80 -57.77 -55.36 35.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.227 0.537 . . . . 1.41 110.697 173.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.05 -39.41 50.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.875 -0.602 . . . . 1.98 110.838 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -59.74 -30.49 68.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.173 0.511 . . . . 1.93 110.505 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.659 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 1.0 OUTLIER -63.93 -50.59 68.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.741 -0.663 . . . . 1.22 109.869 177.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -71.48 -25.36 62.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.552 -0.749 . . . . 3.5 111.187 -177.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -85.1 -11.21 55.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.712 0.291 . . . . 2.69 111.441 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.77 42.56 61.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.946 -0.645 . . . . 0.53 112.005 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.01 -45.31 92.49 Favored Glycine 0 C--N 1.329 0.182 0 C-N-CA 121.426 -0.416 . . . . 0.53 113.552 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.74 -107.12 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.857 0.328 . . . . 0.83 111.529 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.586 ' H ' ' HB3' ' B' ' 42' ' ' ALA . 22.2 t -140.17 -176.77 4.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.644 -0.253 . . . . 1.42 110.57 -177.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.7 t -65.84 -55.76 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.685 0.279 . . . . 1.63 111.021 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.11 -27.16 68.9 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.226 0.536 . . . . 2.21 110.543 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.586 ' HB3' ' H ' ' B' ' 39' ' ' SER . . . -72.56 -35.19 67.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.712 -0.676 . . . . 0.54 110.832 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.501 ' O ' HD21 ' B' ' 33' ' ' LEU . 15.9 mt-30 -58.14 -62.32 1.91 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.028 -0.533 . . . . 1.57 111.418 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -53.28 -34.85 58.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.065 -0.516 . . . . 2.36 111.357 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.6 m -67.19 -39.31 86.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.626 -0.261 . . . . 1.04 111.186 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.631 ' HB2' HD23 ' B' ' 33' ' ' LEU . 35.6 mt -61.74 -48.44 80.69 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 110.098 -0.334 . . . . 1.28 110.098 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.15 -44.64 83.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 1.75 110.947 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 81.5 t -66.66 -45.07 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.49 110.45 177.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.58 92.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.302 -0.408 . . . . 0.48 111.405 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 46' ' ' LEU . 88.0 mt -55.82 -48.61 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.62 110.517 177.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -67.81 -37.8 82.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 1.84 110.834 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.4 m -64.67 -47.48 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.69 110.922 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.97 -31.39 71.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.709 0.29 . . . . 0.76 110.679 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -58.76 -55.05 40.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 1.66 110.307 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.8 m -69.82 -30.11 67.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 1.15 110.926 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.41 ' HB1' HD21 ' A' ' 46' ' ' LEU . . . -60.0 -61.87 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 1.14 111.774 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' B' ' 22' ' ' ALA . 92.5 m-85 -80.05 -11.58 59.76 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.021 0.439 . . . . 2.06 110.851 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.49 38.81 51.65 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.62 -0.718 . . . . 2.6 111.386 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' B' ' 19' ' ' LYS . 27.1 m -101.49 155.79 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.093 0.473 . . . . 1.35 111.404 -174.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.2 p -141.25 -171.51 3.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.417 -0.811 . . . . 2.38 109.802 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.9 p -68.2 -9.27 10.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.524 0.678 . . . . 2.21 110.786 176.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.18 -28.28 69.56 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.302 0.572 . . . . 4.0 110.045 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.59 -22.98 63.47 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.631 -0.713 . . . . 3.62 109.439 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.423 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 8.6 t -70.87 -32.15 69.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.873 -0.603 . . . . 2.92 109.997 178.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -68.02 -29.11 68.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 3.46 110.822 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 pp -106.02 23.21 14.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.967 0.413 . . . . 1.87 110.886 176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.57 144.89 55.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.856 -0.611 . . . . 1.54 112.226 -175.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.435 HD12 HD21 ' B' ' 72' ' ' LEU . 93.6 mt -72.3 155.26 91.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.204 -0.907 . . . . 1.56 109.833 175.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -45.24 -47.83 12.13 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.832 3.021 . . . . 2.75 113.822 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -120.76 169.52 10.33 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.383 -0.228 . . . . 2.76 110.383 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.1 p -69.93 143.56 52.67 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.3 0.572 . . . . 1.55 109.576 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.68 HD23 ' HB2' ' B' ' 24' ' ' ALA . 3.5 mm? -82.68 -35.5 0.68 Allowed Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 113.82 1.044 . . . . 1.79 113.82 -172.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.494 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 81.0 Cg_exo -48.31 -35.35 27.2 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.401 1.401 . . . . 1.06 112.625 172.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.58 -43.9 79.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.874 0.368 . . . . 2.27 110.135 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mm -58.28 -40.52 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 115.948 -0.569 . . . . 1.37 110.218 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' B' ' 73' ' ' PRO . 14.3 m-30 -61.97 -43.03 99.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.806 -0.634 . . . . 2.37 110.427 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 47.8 mt-10 -61.55 -27.19 68.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.802 0.334 . . . . 2.51 110.997 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.34 -49.02 7.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.297 -0.41 . . . . 0.64 111.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.48 -45.19 12.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.407 0.521 . . . . 0.99 112.407 -172.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.1 -64.09 0.98 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.957 0.355 . . . . 1.55 111.957 -170.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.5 t -86.79 4.79 39.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.992 0.425 . . . . 2.33 110.638 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.09 -22.21 63.79 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.066 -0.588 . . . . 2.59 112.284 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.247 0.959 0 CA-C-O 119.113 -0.47 . . . . 4.4 110.158 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 121.205 0.526 . . . . 2.4 110.234 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.567 HD21 ' HB3' ' B' ' 80' ' ' ALA . 22.2 t-20 -82.89 -35.18 26.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.547 -0.752 . . . . 2.52 111.259 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.518 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 3.1 mppt? -62.45 -32.67 73.58 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.552 0.575 . . . . 1.9 112.552 -170.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -65.46 -39.08 91.57 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.91 -0.316 . . . . 1.49 111.04 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' NH2' ' HA ' ' B' ' 81' ' ' THR . 35.4 mtm180 -74.72 -32.97 62.29 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.451 -0.574 . . . . 2.34 109.451 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.518 ' HB3' ' HA ' ' A' ' 18' ' ' LYS . 9.5 tp -54.31 -50.04 68.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.987 -1.006 . . . . 0.7 110.084 172.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.621 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -56.7 -53.38 58.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.534 -0.757 . . . . 0.83 111.116 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 29.9 t80 -55.33 -44.49 75.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 2.99 111.504 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.667 ' HB2' HD23 ' A' ' 72' ' ' LEU . . . -59.73 -42.46 93.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.169 0.509 . . . . 1.14 111.087 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.478 HG23 HD13 ' A' ' 29' ' ' LEU . 74.0 mt -69.94 -37.65 73.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.388 -0.824 . . . . 0.97 110.4 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 61.5 mt -54.63 -49.42 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.78 110.547 174.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -68.6 -51.19 45.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.416 -0.357 . . . . 1.58 111.879 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.19 -48.72 80.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 1.98 110.933 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.9 mp -69.26 -27.32 65.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.583 -0.28 . . . . 0.7 111.361 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 50.3 t-80 -67.13 -48.86 66.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.393 . . . . 1.41 110.21 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -69.36 -43.67 73.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.986 -0.552 . . . . 1.98 110.555 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.873 -0.603 . . . . 1.92 110.444 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' A' ' 46' ' ' LEU . 1.5 tm? -62.39 -52.83 62.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 1.22 109.782 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -69.13 -30.57 68.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 3.49 110.512 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -76.05 -24.79 55.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 2.68 111.048 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.64 39.74 8.07 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.154 -0.545 . . . . 0.53 112.279 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.91 -42.58 99.65 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.169 -0.539 . . . . 0.52 113.504 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.512 HD23 HD11 ' A' ' 46' ' ' LEU . 3.4 mm? -104.06 -173.96 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.815 0.307 . . . . 0.83 110.77 -177.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -77.65 -171.78 2.33 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.55 -0.296 . . . . 1.42 111.028 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.9 m -67.87 -58.81 3.96 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.104 0.409 . . . . 1.63 112.104 -173.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -62.84 -35.29 79.47 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.465 0.65 . . . . 2.2 109.847 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.14 -36.91 85.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.048 -0.978 . . . . 0.54 110.889 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.466 ' O ' HD21 ' A' ' 33' ' ' LEU . 25.4 tt0 -61.4 -51.26 69.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.627 . . . . 1.56 109.856 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.31 -37.98 73.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.527 -0.76 . . . . 2.36 110.432 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m -66.96 -31.8 72.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.583 -0.735 . . . . 1.04 111.812 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.671 ' HB2' HD23 ' A' ' 33' ' ' LEU . 20.3 mt -61.93 -53.34 57.07 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 121.04 -0.264 . . . . 1.28 110.662 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 39.5 tt0 -55.44 -44.84 76.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.941 -0.572 . . . . 1.76 110.827 -176.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.1 t -61.84 -47.72 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.49 110.509 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.52 96.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.017 -0.538 . . . . 0.48 111.393 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 46' ' ' LEU . 83.9 mt -56.19 -50.7 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.61 110.735 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 73.3 mm-40 -64.56 -37.17 86.63 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.215 0.531 . . . . 1.84 110.851 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 72.5 m -68.19 -48.18 65.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.817 -0.629 . . . . 0.69 111.282 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.3 -35.57 81.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.563 0.221 . . . . 0.76 110.88 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -57.42 -51.24 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 1.65 109.868 175.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.9 m -67.63 -34.3 76.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.521 -0.763 . . . . 1.16 110.907 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.8 -63.67 1.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.647 -0.706 . . . . 1.15 112.165 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.621 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 96.3 m-85 -77.04 -2.53 34.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.839 0.352 . . . . 2.05 111.22 -176.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.71 34.83 66.69 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.105 -0.569 . . . . 2.6 111.743 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -100.29 152.99 4.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.062 0.458 . . . . 1.35 110.842 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.3 p -137.06 -170.06 2.63 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.759 -0.655 . . . . 2.38 109.75 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 64' ' ' SER . 14.5 p -69.54 -12.48 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 121.796 0.808 . . . . 2.21 110.267 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.17 -31.08 72.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.513 0.673 . . . . 4.01 109.446 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.419 ' HA ' ' HG ' ' A' ' 66' ' ' LEU . 8.2 m-20 -75.62 -8.0 55.69 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.397 -0.82 . . . . 3.62 110.241 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 22.9 t -80.33 -29.35 38.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.131 -0.692 . . . . 2.91 109.131 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.73 -41.42 92.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 3.46 110.641 175.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 63' ' ' ASP . 3.2 pp -90.34 28.96 1.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.116 0.484 . . . . 1.87 111.407 178.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.6 160.63 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.836 -0.62 . . . . 1.53 111.665 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.54 HD12 HD21 ' A' ' 72' ' ' LEU . 84.8 mt -97.15 158.94 32.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.608 -0.724 . . . . 1.55 110.016 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -43.0 -49.3 7.07 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.584 2.856 . . . . 2.74 114.143 -175.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -123.67 177.11 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.175 -0.306 . . . . 2.75 110.175 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.5 p -70.72 142.1 51.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.237 0.541 . . . . 1.55 109.598 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.667 HD23 ' HB2' ' A' ' 24' ' ' ALA . 3.9 mm? -76.59 -34.87 1.4 Allowed Pre-proline 0 C--N 1.321 -0.662 0 CA-C-O 118.531 -0.747 . . . . 1.79 112.671 -176.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.438 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 68.1 Cg_exo -48.0 -31.05 15.08 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.382 1.388 . . . . 1.07 112.604 168.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' HG2' ' A' ' 77' ' ' GLU . 31.9 tt0 -74.89 -35.19 62.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.489 0.661 . . . . 2.28 110.147 176.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.7 mm -63.42 -40.11 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.367 -0.605 . . . . 1.38 109.367 172.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 11.0 m-30 -66.2 -45.12 81.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.22 -0.9 . . . . 2.36 110.698 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' A' ' 74' ' ' GLU . 12.5 pt-20 -64.48 -19.1 65.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.844 0.354 . . . . 2.52 110.923 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.94 -63.56 1.28 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.418 -0.356 . . . . 0.65 111.121 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -50.1 38.26 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.259 0.466 . . . . 0.99 112.259 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.537 ' HB3' HD21 ' B' ' 17' ' ' ASN . . . -72.98 -11.65 60.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.912 -0.585 . . . . 1.56 111.541 -173.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.434 ' HA ' ' NH2' ' B' ' 20' ' ' ARG . 42.1 m -99.85 -18.36 17.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.282 0.563 . . . . 2.33 110.208 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.81 46.9 2.72 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.935 -0.65 . . . . 2.59 112.798 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.3 tttt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.503 -0.761 . . . . 4.41 109.691 176.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.728 0.299 . . . . 3.68 110.204 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -88.96 132.15 34.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.158 0.504 . . . . 2.42 110.217 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.537 HD21 ' HB3' ' A' ' 80' ' ' ALA . 22.0 t-20 -83.01 -35.08 26.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.561 -0.745 . . . . 2.52 111.157 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.498 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 3.1 mppt? -62.61 -32.76 73.83 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.44 0.533 . . . . 1.89 112.44 -170.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -65.25 -39.27 92.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.018 -0.273 . . . . 1.49 111.008 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.434 ' NH2' ' HA ' ' A' ' 81' ' ' THR . 35.3 mtm180 -74.58 -33.13 62.58 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.424 -0.584 . . . . 2.34 109.424 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' B' ' 18' ' ' LYS . 9.5 tp -54.21 -50.1 67.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.985 -1.007 . . . . 0.7 110.133 172.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.623 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -56.62 -53.38 58.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.647 -0.706 . . . . 0.83 111.123 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.583 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 30.0 t80 -55.29 -44.58 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 2.99 111.431 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.668 ' HB2' HD23 ' B' ' 72' ' ' LEU . . . -59.68 -42.39 92.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.217 0.532 . . . . 1.14 111.106 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.471 HG23 HD13 ' B' ' 29' ' ' LEU . 74.2 mt -70.03 -37.58 72.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.435 -0.802 . . . . 0.97 110.409 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' B' ' 30' ' ' HIS . 61.3 mt -54.61 -49.6 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.78 110.43 174.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -68.45 -51.39 44.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 1.58 111.774 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.0 -48.87 79.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 1.98 110.892 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.593 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.9 mp -69.08 -27.36 65.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.602 -0.272 . . . . 0.7 111.423 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' B' ' 26' ' ' ILE . 50.2 t-80 -67.17 -48.84 66.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.938 0.399 . . . . 1.41 110.265 177.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.15 -43.94 73.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.045 -0.525 . . . . 1.98 110.537 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -61.8 -29.1 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.93 110.5 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' B' ' 46' ' ' LEU . 1.5 tm? -62.28 -52.95 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.634 -0.712 . . . . 1.22 109.643 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -69.02 -30.7 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.57 -0.741 . . . . 3.5 110.531 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -75.9 -25.08 55.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.86 -0.609 . . . . 2.69 111.017 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.88 39.69 7.97 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 121.127 -0.558 . . . . 0.53 112.264 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.12 -42.1 99.58 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.236 -0.507 . . . . 0.53 113.591 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.525 HD23 HD11 ' B' ' 46' ' ' LEU . 3.5 mm? -104.49 -173.95 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.872 0.336 . . . . 0.83 110.709 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -77.42 -171.89 2.29 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.47 -0.332 . . . . 1.42 110.954 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.9 m -67.87 -59.02 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.108 0.41 . . . . 1.63 112.108 -173.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -62.78 -35.26 79.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.551 0.691 . . . . 2.21 109.867 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.9 85.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.017 -0.992 . . . . 0.54 110.902 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.464 ' O ' HD21 ' B' ' 33' ' ' LEU . 25.4 tt0 -61.32 -51.46 68.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.626 . . . . 1.57 109.808 178.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.22 -37.89 72.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.669 -0.696 . . . . 2.36 110.504 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.5 m -66.92 -31.97 72.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.595 -0.73 . . . . 1.04 111.895 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.699 ' HB2' HD23 ' B' ' 33' ' ' LEU . 20.3 mt -61.74 -53.56 54.43 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 121.066 -0.253 . . . . 1.28 110.609 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 40.0 tt0 -55.28 -44.86 76.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.959 -0.564 . . . . 1.75 110.873 -176.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.78 -47.87 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.49 110.437 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.55 96.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.546 . . . . 0.48 111.431 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 46' ' ' LEU . 83.6 mt -56.14 -50.75 68.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.62 110.8 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 73.7 mm-40 -64.7 -37.27 87.01 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.031 -0.531 . . . . 1.84 110.731 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 72.3 m -68.04 -48.12 66.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.902 -0.59 . . . . 0.69 111.282 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.27 -35.66 81.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.703 0.287 . . . . 0.76 110.853 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -57.4 -51.33 69.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.23 0.538 . . . . 1.66 109.972 175.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.9 m -67.28 -34.7 77.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.543 -0.753 . . . . 1.15 110.849 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.48 -63.75 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.642 -0.708 . . . . 1.14 112.237 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.623 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 96.3 m-85 -76.92 -2.67 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.869 0.366 . . . . 2.06 111.259 -176.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.83 34.65 65.94 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.112 -0.566 . . . . 2.6 111.836 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.06 153.22 4.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.058 0.456 . . . . 1.35 110.976 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -137.49 -171.15 2.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.613 -0.722 . . . . 2.38 109.718 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' B' ' 64' ' ' SER . 14.6 p -68.79 -12.41 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.773 0.797 . . . . 2.21 110.236 175.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -63.15 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.585 0.707 . . . . 4.0 109.419 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.401 ' HA ' ' HG ' ' B' ' 66' ' ' LEU . 8.5 m-20 -75.6 -7.88 55.37 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.377 -0.829 . . . . 3.62 110.231 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.583 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 22.8 t -80.48 -29.51 37.39 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.197 -0.668 . . . . 2.92 109.197 173.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.34 -41.67 93.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.94 -0.573 . . . . 3.46 110.708 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' B' ' 66' ' ' LEU . 3.2 pp -89.57 27.29 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.158 0.504 . . . . 1.87 111.452 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.34 160.66 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 1.54 111.769 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.512 HD12 HD21 ' B' ' 72' ' ' LEU . 85.1 mt -97.28 159.08 32.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.589 -0.732 . . . . 1.56 110.021 177.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -43.12 -49.26 7.28 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.679 2.919 . . . . 2.75 114.118 -175.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -123.97 176.73 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.066 -0.346 . . . . 2.76 110.066 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 73.4 p -70.55 144.59 51.23 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.298 -0.63 . . . . 1.55 109.298 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.668 HD23 ' HB2' ' B' ' 24' ' ' ALA . 3.9 mm? -78.49 -34.67 1.05 Allowed Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 118.642 -0.694 . . . . 1.79 112.61 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.435 ' HA ' ' CD2' ' B' ' 76' ' ' PHE . 67.4 Cg_exo -48.06 -31.13 15.49 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.426 1.418 . . . . 1.06 112.572 168.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' B' ' 77' ' ' GLU . 32.1 tt0 -74.9 -35.28 62.25 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.337 0.589 . . . . 2.27 110.11 176.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 22.6 mm -63.35 -40.03 87.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.384 0.611 . . . . 1.37 109.357 172.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 10.9 m-30 -66.26 -45.04 81.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.239 -0.892 . . . . 2.37 110.654 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 74' ' ' GLU . 12.5 pt-20 -64.6 -19.26 65.56 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.764 -0.375 . . . . 2.51 110.876 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.48 -63.96 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.886 0.374 . . . . 0.64 111.107 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.96 40.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.32 0.489 . . . . 0.99 112.32 -174.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.567 ' HB3' HD21 ' A' ' 17' ' ' ASN . . . -72.78 -12.44 61.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.872 -0.604 . . . . 1.55 111.454 -173.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.448 ' HA ' ' NH2' ' A' ' 20' ' ' ARG . 45.2 m -99.52 -18.01 17.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 2.33 110.301 173.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.95 46.79 2.69 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.903 -0.665 . . . . 2.59 112.771 -175.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 77.2 tttt . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.378 -0.82 . . . . 4.4 109.867 177.058 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.429 ' OD1' ' HG3' ' A' ' 19' ' ' LYS . 16.2 m-20 . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.122 0.487 . . . . 2.4 111.462 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.89 -43.75 12.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.125 -0.489 . . . . 2.52 110.62 176.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -66.83 -43.28 84.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.98 0.419 . . . . 1.9 110.334 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.429 ' HG3' ' OD1' ' A' ' 16' ' ' ASP . 2.6 mmmm -59.25 -58.05 10.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.552 -0.749 . . . . 1.49 110.907 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -72.34 -19.48 61.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.163 -0.926 . . . . 2.34 110.997 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.458 HD13 ' CE2' ' B' ' 76' ' ' PHE . 14.0 tp -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.298 -0.63 . . . . 0.7 109.298 171.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.567 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -63.27 -50.12 71.37 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.466 -0.788 . . . . 0.83 110.561 178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.506 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -54.26 -48.29 71.33 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.277 0.36 . . . . 2.99 111.194 -177.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.443 ' HB1' ' HD3' ' A' ' 73' ' ' PRO . . . -67.11 -41.12 86.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.466 -0.334 . . . . 1.14 111.24 -175.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.56 -41.94 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.97 110.43 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 22' ' ' ALA . 90.3 mt -57.69 -50.62 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.655 0.265 . . . . 0.78 110.736 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -62.41 -46.96 86.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 1.58 111.662 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.33 -47.07 83.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.38 . . . . 1.98 110.564 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.8 mp -72.15 -22.05 61.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.7 111.467 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -70.53 -46.97 62.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.021 -0.363 . . . . 1.41 110.021 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.69 -44.6 89.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 1.98 110.026 177.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.453 HE22 HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -60.78 -37.17 80.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 1.92 110.871 176.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.588 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.47 -48.02 76.79 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.573 -0.528 . . . . 1.22 109.573 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.03 -32.73 74.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.786 -0.643 . . . . 3.49 110.404 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -77.99 -20.89 51.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.753 -0.658 . . . . 2.68 111.496 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.19 43.71 12.88 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.063 -0.589 . . . . 0.53 111.96 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.78 -62.86 4.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.119 -0.562 . . . . 0.52 113.237 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.15 -178.51 6.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.868 0.366 . . . . 0.83 111.257 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -69.73 174.65 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 1.42 111.455 -177.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.3 t -60.85 -55.65 30.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.673 0.273 . . . . 1.63 111.228 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.8 -40.75 93.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 2.2 110.437 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.537 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -57.93 -47.2 83.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.7 -0.682 . . . . 0.54 110.908 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.414 ' HA ' HD21 ' A' ' 33' ' ' LEU . 27.7 mt-30 -53.58 -60.2 3.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.777 -0.647 . . . . 1.56 111.323 177.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -49.11 -43.25 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.228 -0.896 . . . . 2.36 111.259 176.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.8 m -67.65 -34.49 77.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 1.04 111.671 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 32.2 mt -65.52 -39.58 92.0 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 121.026 -0.27 . . . . 1.28 110.453 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.15 -40.33 77.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.17 0.509 . . . . 1.76 110.15 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.62 -48.65 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.777 -0.647 . . . . 0.49 110.218 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.79 -39.94 82.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.48 111.475 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 58.1 mt -55.74 -55.67 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.046 -0.525 . . . . 0.61 110.944 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.64 -32.97 74.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.688 0.28 . . . . 1.84 111.317 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.3 m -66.53 -51.44 56.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.335 -0.393 . . . . 0.69 110.948 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.64 -38.36 89.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.045 0.45 . . . . 0.76 110.301 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 42.3 tt0 -54.61 -53.2 57.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.33 -0.85 . . . . 1.65 110.507 176.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -70.26 -30.86 68.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.038 -0.528 . . . . 1.16 111.044 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -62.88 1.36 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 1.15 112.231 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 95.3 m-85 -75.21 -12.27 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.356 -0.383 . . . . 2.05 111.12 -175.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.56 28.43 47.61 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.77 -0.729 . . . . 2.6 111.643 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 27.0 m -103.48 152.21 6.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.394 -0.224 . . . . 1.35 110.394 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.528 ' OG1' ' HG2' ' A' ' 62' ' ' GLU . 12.7 p -141.98 -169.15 2.86 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.591 -0.522 . . . . 2.38 109.591 176.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -56.67 -27.28 25.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 120.836 0.351 . . . . 2.21 111.685 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.528 ' HG2' ' OG1' ' A' ' 60' ' ' THR . 12.7 pt-20 -65.24 -24.88 67.45 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.05 0.452 . . . . 4.01 110.675 178.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 2.9 t70 -75.71 -17.81 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.789 0.804 . . . . 3.62 109.051 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.506 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 36.6 t -81.86 -19.79 40.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.395 -0.82 . . . . 2.91 109.583 174.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -75.93 -27.2 57.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 3.46 110.895 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 2.2 pp -88.0 31.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.368 0.604 . . . . 1.87 109.935 172.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -47.54 150.18 1.02 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.592 -1.186 . . . . 1.53 113.124 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.9 mt -96.72 149.38 35.72 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 115.342 -0.844 . . . . 1.55 110.461 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -42.34 -51.58 4.84 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.422 2.748 . . . . 2.74 112.584 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.61 150.01 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.423 -0.808 . . . . 2.75 109.621 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.2 p -79.86 139.74 37.04 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.173 -0.677 . . . . 1.55 109.173 171.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.528 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 65.4 mt -79.97 -37.5 1.1 Allowed Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 113.466 0.913 . . . . 1.79 113.466 -168.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.588 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 52.5 Cg_exo -57.79 -31.01 91.17 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.151 1.234 . . . . 1.07 111.97 170.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -69.02 -47.53 65.22 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.924 -0.398 . . . . 2.28 109.924 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.6 mm -52.95 -42.9 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.462 0.648 . . . . 1.38 109.882 171.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 2.2 t80 -60.65 -36.92 79.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.973 -1.012 . . . . 2.36 110.826 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 45.9 mt-10 -65.53 -27.11 68.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.762 0.315 . . . . 2.52 111.098 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.69 -45.2 10.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.65 111.136 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.61 19.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.217 0.451 . . . . 0.99 112.217 -175.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.58 -8.43 55.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.599 0.592 . . . . 1.56 112.599 -170.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 p -93.75 5.35 51.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.241 0.543 . . . . 2.33 110.628 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.18 -124.21 0.77 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.24 -0.744 . . . . 2.59 111.24 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.247 0.967 0 CA-C-O 119.078 -0.487 . . . . 4.41 110.31 176.781 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.567 0.222 . . . . 3.68 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' B' ' 19' ' ' LYS . 15.8 m-20 -83.54 76.81 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.502 . . . . 2.42 111.153 -173.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.85 -44.14 12.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.158 -0.474 . . . . 2.52 110.654 176.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -66.85 -43.11 84.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 1.89 110.382 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.411 ' HG3' ' OD1' ' B' ' 16' ' ' ASP . 2.5 mmmm -59.24 -58.25 9.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.515 -0.766 . . . . 1.49 110.872 -178.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -72.2 -19.37 61.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.25 -0.886 . . . . 2.34 111.091 -173.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 76' ' ' PHE . 14.0 tp -59.74 -49.61 77.06 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.306 -0.628 . . . . 0.7 109.306 171.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.561 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -63.42 -49.97 71.65 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.426 -0.806 . . . . 0.83 110.521 178.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' B' ' 64' ' ' SER . 0.0 OUTLIER -54.26 -48.35 71.28 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.244 0.34 . . . . 2.99 111.169 -177.44 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.443 ' HB1' ' HD3' ' B' ' 73' ' ' PRO . . . -67.12 -41.2 86.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.458 -0.337 . . . . 1.14 111.113 -175.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 35.1 mt -67.64 -41.78 85.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.301 -0.408 . . . . 0.97 110.394 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.44 HG13 ' O ' ' B' ' 22' ' ' ALA . 90.6 mt -57.68 -50.8 76.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.61 0.243 . . . . 0.78 110.711 177.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -62.21 -47.15 85.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 1.58 111.606 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -63.17 -46.89 85.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.004 0.431 . . . . 1.98 110.651 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.8 mp -72.2 -22.15 61.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.234 -0.439 . . . . 0.7 111.517 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -70.38 -47.05 62.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.361 . . . . 1.41 110.132 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.71 -44.4 90.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 1.98 110.033 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.458 HE22 HD12 ' B' ' 46' ' ' LEU . 0.7 OUTLIER -61.06 -37.08 81.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.517 -0.765 . . . . 1.93 110.862 176.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -64.41 -48.02 76.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.633 -0.506 . . . . 1.22 109.633 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.03 -32.73 74.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 3.5 110.391 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -78.11 -21.0 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 2.69 111.391 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.84 42.52 12.79 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.936 -0.649 . . . . 0.53 112.052 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.17 -62.8 4.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.066 -0.587 . . . . 0.53 113.137 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.22 -178.41 6.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.818 0.342 . . . . 0.83 111.321 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.9 m -69.81 174.73 4.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 1.42 111.398 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -60.84 -55.69 30.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 1.63 111.094 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -60.89 -40.5 93.27 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.228 -0.442 . . . . 2.21 110.531 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -58.1 -47.11 84.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.66 -0.7 . . . . 0.54 110.799 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.407 ' HA ' HD21 ' B' ' 33' ' ' LEU . 27.6 mt-30 -53.62 -60.1 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 1.57 111.358 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -49.31 -43.07 43.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.168 -0.924 . . . . 2.36 111.302 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 39.5 m -67.69 -34.59 77.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 1.04 111.664 -178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 31.8 mt -65.4 -39.51 92.29 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 121.024 -0.27 . . . . 1.28 110.504 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.28 -40.3 77.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.167 0.508 . . . . 1.75 110.075 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 23.5 t -69.67 -48.5 64.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.793 -0.639 . . . . 0.49 110.229 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.63 82.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.902 -0.59 . . . . 0.48 111.482 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 57.9 mt -55.89 -55.68 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 0.62 110.928 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.6 -33.05 74.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.571 -0.286 . . . . 1.84 111.336 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.7 m -66.44 -51.65 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.3 -0.409 . . . . 0.69 110.869 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.56 -38.32 89.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.072 0.463 . . . . 0.76 110.278 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 42.3 tt0 -54.68 -53.24 57.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.363 -0.835 . . . . 1.66 110.452 176.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.5 m -70.34 -30.61 67.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.022 -0.535 . . . . 1.15 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.98 -63.05 1.26 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.162 -0.472 . . . . 1.14 112.221 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 94.9 m-85 -75.08 -12.12 60.25 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.318 -0.401 . . . . 2.06 111.241 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.34 28.72 47.56 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.855 -0.688 . . . . 2.6 111.603 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 26.9 m -103.82 151.57 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.672 0.272 . . . . 1.35 110.382 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . 0.531 ' OG1' ' HG2' ' B' ' 62' ' ' GLU . 13.7 p -141.52 -170.46 3.1 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.621 -0.511 . . . . 2.38 109.621 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -55.61 -27.53 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 120.698 0.285 . . . . 2.21 111.741 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.531 ' HG2' ' OG1' ' B' ' 60' ' ' THR . 12.7 pt-20 -65.11 -24.74 67.51 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.015 0.436 . . . . 4.0 110.737 178.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.414 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 3.0 t70 -75.76 -17.89 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.829 0.823 . . . . 3.62 109.037 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 34.7 t -81.8 -19.89 40.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.404 -0.817 . . . . 2.92 109.594 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -75.83 -27.27 57.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 3.46 110.878 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 2.2 pp -86.91 28.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.302 0.572 . . . . 1.87 110.157 172.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' B' ' 64' ' ' SER . . . -45.58 149.81 0.55 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 114.658 -1.155 . . . . 1.54 113.372 -177.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 98.1 mt -96.51 149.43 35.83 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.28 -0.873 . . . . 1.56 110.546 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -43.01 -50.29 6.37 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.341 2.694 . . . . 2.75 112.855 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.42 150.07 24.86 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 2.76 109.511 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 10.6 p -79.73 143.28 34.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.703 -0.851 . . . . 1.55 108.703 171.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 67.3 mt -82.49 -37.57 0.78 Allowed Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 113.249 0.833 . . . . 1.79 113.249 -168.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.589 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 53.1 Cg_exo -57.8 -31.04 91.29 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.154 1.236 . . . . 1.06 111.999 170.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.04 -47.66 64.83 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.798 -0.445 . . . . 2.27 109.798 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 17.5 mm -52.86 -42.97 44.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.415 0.626 . . . . 1.37 109.842 171.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 2.2 t80 -60.54 -36.93 79.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.94 -1.027 . . . . 2.37 110.858 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.5 mt-10 -65.47 -27.75 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.665 0.269 . . . . 2.51 111.027 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.85 -45.16 10.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.962 0.411 . . . . 0.64 111.315 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.13 -50.72 18.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.217 0.451 . . . . 0.99 112.217 -175.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.26 -11.11 60.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.611 0.597 . . . . 1.55 112.611 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 17.1 p -92.03 5.09 51.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.174 0.512 . . . . 2.33 110.767 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.78 -124.34 0.79 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.354 -0.699 . . . . 2.59 111.354 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.246 0.88 0 CA-C-O 119.354 -0.355 . . . . 4.4 110.154 176.502 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 17.7 m-20 . . . . . 0 CA--C 1.517 -0.306 0 CA-C-O 120.79 0.329 . . . . 2.4 110.295 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -76.49 -14.3 60.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.41 0.624 . . . . 2.52 109.612 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -59.07 -35.92 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.326 -0.852 . . . . 1.9 111.103 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 16' ' ' ASP . 21.0 ptmt -70.67 -38.71 73.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 1.49 110.593 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' CZ ' HD21 ' A' ' 68' ' ' LEU . 37.1 mtm180 -73.56 -21.73 60.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.606 0.717 . . . . 2.34 110.037 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.557 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 30.5 tp -61.92 -39.53 92.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.209 -0.905 . . . . 0.7 109.704 171.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.664 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -64.82 -54.56 29.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.305 -0.861 . . . . 0.83 112.095 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.457 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -58.02 -40.03 79.81 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.716 0.293 . . . . 2.99 110.466 -174.145 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HB1' ' HD3' ' A' ' 73' ' ' PRO . . . -64.32 -38.63 91.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.155 0.502 . . . . 1.14 110.873 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.09 -44.3 74.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.538 -0.755 . . . . 0.97 110.032 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.445 HG23 HG23 ' A' ' 50' ' ' ILE . 87.6 mt -56.14 -48.79 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.859 -0.61 . . . . 0.78 110.606 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 81.3 mm-40 -58.65 -43.69 89.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.771 -0.649 . . . . 1.58 111.632 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.541 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 40.6 t80 -71.68 -53.85 12.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.404 -0.362 . . . . 1.98 111.052 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.63 -31.01 69.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.7 111.355 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -56.1 -57.08 13.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.147 0.499 . . . . 1.41 110.765 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.11 -34.91 64.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.845 -0.616 . . . . 1.98 110.805 -176.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -60.15 -41.01 91.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.987 0.422 . . . . 1.92 110.533 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.429 HD23 HD12 ' A' ' 46' ' ' LEU . 3.3 tm? -62.87 -45.49 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 1.22 109.735 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -66.62 -24.17 66.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.724 -0.671 . . . . 3.49 111.167 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -94.17 -2.94 51.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.452 -0.34 . . . . 2.68 111.351 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.64 41.86 98.93 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.991 -0.549 . . . . 0.53 112.438 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.45 -48.75 84.49 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.246 -0.502 . . . . 0.52 113.094 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.14 -176.25 4.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.5 0.191 . . . . 0.83 110.929 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 t -69.64 -176.66 1.07 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.583 -0.28 . . . . 1.42 111.119 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 11.4 p -62.78 -64.22 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.109 0.411 . . . . 1.63 112.109 -174.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.8 -32.7 74.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.267 0.556 . . . . 2.2 110.695 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.53 85.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.611 -0.722 . . . . 0.54 110.71 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 40' ' ' SER . 25.6 mt-30 -59.69 -57.24 13.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 1.56 110.939 174.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 48' ' ' VAL . 54.7 mm-40 -46.1 -41.02 11.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.379 -0.828 . . . . 2.36 111.143 174.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.4 m -66.12 -29.38 69.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.817 -0.629 . . . . 1.04 111.697 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.526 ' O ' HG13 ' A' ' 50' ' ' ILE . 46.2 mt -62.55 -53.17 58.6 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 110.185 -0.302 . . . . 1.28 110.185 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -55.25 -45.96 76.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 1.76 110.911 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 44' ' ' GLU . 20.5 t -60.56 -49.13 85.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.49 110.359 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.36 96.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.861 -0.609 . . . . 0.48 111.285 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 46' ' ' LEU . 85.2 mt -56.37 -50.66 70.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.182 -0.463 . . . . 0.61 110.532 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -63.24 -41.71 99.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 1.84 110.698 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.64 -50.48 66.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.594 . . . . 0.69 111.501 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.47 -35.41 80.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.54 0.21 . . . . 0.76 111.269 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.03 -53.41 58.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.14 0.495 . . . . 1.65 109.95 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.0 m -68.74 -33.92 74.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 1.16 111.1 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -58.6 -55.54 33.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 1.15 111.811 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.664 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 98.6 m-85 -81.29 -6.36 58.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.726 0.298 . . . . 2.05 111.106 -178.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.56 31.73 65.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.091 -0.575 . . . . 2.6 112.041 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.9 m -104.67 162.9 4.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.447 . . . . 1.35 111.187 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.1 p -140.64 -169.58 2.82 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.067 -0.716 . . . . 2.38 109.067 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.0 -21.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.415 0.626 . . . . 2.21 109.975 174.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HA ' ' OD2' ' A' ' 65' ' ' ASP . 31.8 mt-10 -64.11 -24.73 67.8 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.517 -0.765 . . . . 4.01 110.93 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -74.32 -23.22 59.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 3.62 109.322 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 13.9 t -80.46 -16.34 54.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.483 -0.781 . . . . 2.91 109.583 175.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.476 ' OD2' ' HA ' ' A' ' 62' ' ' GLU . 5.8 m-20 -71.69 -40.33 69.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.173 -0.467 . . . . 3.46 110.284 173.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -87.88 31.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.473 0.654 . . . . 1.87 110.32 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -50.21 152.84 1.62 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.685 -1.143 . . . . 1.53 113.375 -176.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.483 HD21 ' CZ ' ' A' ' 20' ' ' ARG . 88.3 mt -82.72 167.18 31.57 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 114.883 -1.053 . . . . 1.55 110.33 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 68' ' ' LEU . 5.5 Cg_exo -39.85 -48.62 3.64 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 123.695 2.93 . . . . 2.74 112.684 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -135.38 153.38 51.84 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.96 -0.756 . . . . 2.75 108.96 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -70.59 142.23 51.72 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.379 0.609 . . . . 1.55 110.027 176.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 73' ' ' PRO . 28.4 mt -66.93 -30.55 3.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 114.34 1.237 . . . . 1.79 114.34 -170.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.541 ' CG ' ' HB2' ' A' ' 28' ' ' PHE . 20.8 Cg_exo -36.58 -45.84 1.18 Allowed 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.777 2.318 . . . . 1.07 113.919 170.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 31.7 tt0 -72.77 -37.38 67.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.951 0.405 . . . . 2.28 110.626 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.8 mm -58.81 -38.68 73.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.003 0.43 . . . . 1.38 109.985 174.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.487 ' CD2' ' HA ' ' A' ' 73' ' ' PRO . 18.4 m-30 -60.18 -42.22 94.53 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.598 -0.728 . . . . 2.36 110.713 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 13.1 pt-20 -80.69 -24.83 38.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.751 0.31 . . . . 2.52 111.028 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.75 -64.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.273 0.472 . . . . 0.65 112.273 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.72 -27.98 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.949 0.405 . . . . 0.99 111.968 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -75.89 -19.96 58.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.215 -0.448 . . . . 1.56 111.671 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -98.77 15.91 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.471 . . . . 2.33 110.817 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.37 124.72 1.43 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.83 -0.7 . . . . 2.59 112.272 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.408 -0.806 . . . . 4.41 109.835 177.733 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.162 -0.31 . . . . 3.68 110.162 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.61 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 18.9 m-20 -77.18 105.77 8.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.238 -0.437 . . . . 2.42 110.533 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -76.52 -14.43 60.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.302 0.573 . . . . 2.52 109.542 176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 0.9 OUTLIER -59.05 -35.81 73.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.347 -0.842 . . . . 1.89 111.122 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' B' ' 16' ' ' ASP . 21.0 ptmt -70.72 -38.71 73.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.565 -0.289 . . . . 1.49 110.667 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.479 ' CZ ' HD21 ' B' ' 68' ' ' LEU . 37.2 mtm180 -73.66 -21.6 60.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.557 0.694 . . . . 2.34 109.942 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.557 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 30.5 tp -61.98 -39.45 92.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.313 -0.858 . . . . 0.7 109.639 171.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.659 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -64.99 -54.61 27.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.369 -0.832 . . . . 0.83 111.982 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.444 ' O ' ' HG2' ' B' ' 27' ' ' GLN . 0.3 OUTLIER -58.03 -39.94 79.61 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-O 120.733 0.302 . . . . 2.99 110.51 -174.106 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.453 ' HB1' ' HD3' ' B' ' 73' ' ' PRO . . . -64.3 -38.6 91.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 1.14 110.903 -177.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.21 -44.27 73.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.604 -0.725 . . . . 0.97 110.045 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.442 HG23 HG23 ' B' ' 50' ' ' ILE . 87.8 mt -56.01 -49.0 77.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.78 110.577 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 80.2 mm-40 -58.62 -43.58 89.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 1.58 111.745 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.544 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 40.2 t80 -71.77 -53.69 12.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 1.98 111.049 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.73 -31.18 69.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.7 111.315 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -55.86 -57.16 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.177 0.513 . . . . 1.41 110.78 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.05 -34.88 64.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.831 -0.622 . . . . 1.98 110.92 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -60.12 -40.98 91.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.988 0.423 . . . . 1.93 110.538 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.446 HD23 HD12 ' B' ' 46' ' ' LEU . 3.3 tm? -62.86 -45.41 92.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.808 -0.633 . . . . 1.22 109.723 177.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -66.96 -23.82 66.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.841 -0.618 . . . . 3.5 111.164 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -94.23 -3.19 51.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.791 0.329 . . . . 2.69 111.362 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.94 41.46 98.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.117 -0.563 . . . . 0.53 112.483 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.33 -48.55 85.43 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.195 -0.526 . . . . 0.53 113.153 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.2 -176.2 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.404 0.145 . . . . 0.83 111.012 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.9 t -69.82 -176.46 1.08 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.695 0.283 . . . . 1.42 111.109 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 11.8 p -63.09 -63.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.182 0.438 . . . . 1.63 112.182 -174.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.96 -32.75 74.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.245 0.545 . . . . 2.21 110.599 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -60.66 -38.59 85.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.656 -0.702 . . . . 0.54 110.713 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' B' ' 40' ' ' SER . 25.3 mt-30 -59.67 -57.25 13.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.765 -0.652 . . . . 1.57 110.803 175.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.409 ' O ' HG23 ' B' ' 48' ' ' VAL . 54.3 mm-40 -46.03 -41.02 11.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.392 -0.822 . . . . 2.36 111.241 174.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 29.8 m -66.19 -29.31 69.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.868 -0.605 . . . . 1.04 111.686 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.517 ' O ' HG13 ' B' ' 50' ' ' ILE . 46.0 mt -62.5 -53.27 57.18 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 110.199 -0.297 . . . . 1.28 110.199 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -55.24 -45.89 76.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.744 -0.662 . . . . 1.75 110.891 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 44' ' ' GLU . 20.4 t -60.64 -49.12 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.49 110.394 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.28 96.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.766 -0.652 . . . . 0.48 111.264 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.517 HG13 ' O ' ' B' ' 46' ' ' LEU . 85.2 mt -56.43 -50.63 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.62 110.543 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -63.28 -41.64 99.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 1.84 110.782 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.63 -50.62 66.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.904 -0.589 . . . . 0.69 111.402 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.49 -35.42 80.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.559 0.219 . . . . 0.76 111.307 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.05 -53.09 62.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.195 0.521 . . . . 1.66 109.943 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.0 m -69.12 -33.72 73.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.519 -0.764 . . . . 1.15 111.104 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.4 35.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 1.14 111.813 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.659 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 98.6 m-85 -81.27 -6.38 58.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.853 0.359 . . . . 2.06 111.17 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.51 31.93 65.13 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.124 -0.56 . . . . 2.6 111.96 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -104.77 163.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.003 0.43 . . . . 1.35 111.172 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 29.8 p -141.06 -170.84 3.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.564 -0.744 . . . . 2.38 109.05 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.98 -21.68 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.432 0.634 . . . . 2.21 110.092 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.463 ' HA ' ' OD2' ' B' ' 65' ' ' ASP . 31.7 mt-10 -64.02 -24.83 67.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.577 -0.738 . . . . 4.0 110.917 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.24 -23.14 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 3.62 109.259 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' B' ' 67' ' ' ALA . 14.3 t -80.32 -16.58 54.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.491 -0.777 . . . . 2.92 109.555 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.463 ' OD2' ' HA ' ' B' ' 62' ' ' GLU . 5.9 m-20 -71.71 -39.92 69.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.124 -0.489 . . . . 3.46 110.477 173.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -87.1 28.23 0.95 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.277 0.561 . . . . 1.87 110.617 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' B' ' 64' ' ' SER . . . -48.3 152.66 0.83 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.904 -1.043 . . . . 1.54 113.519 -175.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.479 HD21 ' CZ ' ' B' ' 20' ' ' ARG . 88.2 mt -82.82 167.02 32.46 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 114.72 -1.127 . . . . 1.56 110.314 177.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' B' ' 68' ' ' LEU . 5.5 Cg_exo -39.89 -48.58 3.68 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.697 2.931 . . . . 2.75 112.756 176.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -135.15 153.33 52.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.909 -0.774 . . . . 2.76 108.909 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -70.67 144.62 51.0 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.419 0.628 . . . . 1.55 109.716 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.556 ' N ' ' HD2' ' B' ' 73' ' ' PRO . 28.8 mt -68.93 -30.51 2.36 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 114.177 1.177 . . . . 1.79 114.177 -170.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' B' ' 72' ' ' LEU . 20.7 Cg_exo -36.48 -45.71 1.12 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.712 2.275 . . . . 1.06 113.972 170.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' B' ' 77' ' ' GLU . 31.7 tt0 -72.94 -37.42 67.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.929 0.395 . . . . 2.27 110.587 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 25.7 mm -58.85 -38.61 73.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.967 0.413 . . . . 1.37 109.944 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.476 ' CD2' ' HA ' ' B' ' 73' ' ' PRO . 18.6 m-30 -60.29 -42.13 94.84 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.602 -0.726 . . . . 2.37 110.721 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 74' ' ' GLU . 13.1 pt-20 -80.6 -25.46 38.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.776 0.322 . . . . 2.51 110.951 -177.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.75 -64.42 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.41 0.522 . . . . 0.64 112.41 -174.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.09 -27.81 63.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.023 0.44 . . . . 0.99 111.956 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -75.98 -19.96 58.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.116 -0.493 . . . . 1.55 111.588 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.1 p -98.58 15.66 24.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.111 0.482 . . . . 2.33 110.853 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.66 125.24 1.44 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.878 -0.677 . . . . 2.59 112.168 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.331 -0.842 . . . . 4.4 109.955 177.536 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 120.8 0.333 . . . . 2.4 110.468 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.637 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 13.3 p-10 -84.94 -14.13 48.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.257 -0.429 . . . . 2.52 110.3 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.66 -48.84 78.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.744 -0.662 . . . . 1.9 111.086 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -63.14 -46.61 86.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 1.49 111.337 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.77 -34.83 79.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.248 0.547 . . . . 2.34 110.625 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 tp -58.08 -51.44 69.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.303 -0.862 . . . . 0.7 110.082 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -64.04 -48.54 75.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.83 110.87 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 8.1 t80 -52.58 -53.03 52.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 2.99 112.029 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.33 83.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.391 -0.368 . . . . 1.14 111.19 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.6 mt -69.86 -39.24 77.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.105 -0.498 . . . . 0.97 110.35 177.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 22' ' ' ALA . 49.8 mt -54.76 -55.91 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.255 -0.43 . . . . 0.78 111.091 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.28 -44.83 93.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 1.58 111.765 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.404 ' HB2' ' HG2' ' A' ' 73' ' ' PRO . 85.4 t80 -65.82 -46.32 79.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.547 -0.297 . . . . 1.98 110.988 -178.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.702 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 mp -64.05 -36.71 84.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.67 -0.241 . . . . 0.7 110.501 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.77 -50.95 70.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 1.41 110.687 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.84 -34.06 68.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.489 -0.323 . . . . 1.98 110.784 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.47 -37.64 81.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 1.92 110.536 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 46' ' ' LEU . 66.9 mt -66.79 -43.44 83.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 1.22 110.422 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.87 -26.96 65.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 3.49 110.955 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -89.72 -2.59 58.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.87 0.367 . . . . 2.68 111.139 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.44 40.66 91.34 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.949 -0.569 . . . . 0.53 112.815 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.78 -36.92 92.87 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.001 -0.619 . . . . 0.52 112.598 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.84 178.34 4.5 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.231 -0.285 . . . . 0.83 110.231 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.3 t -74.75 179.97 4.51 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.91 -0.404 . . . . 1.42 109.91 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -63.44 -58.16 7.93 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.325 -0.235 . . . . 1.63 111.558 -173.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.99 -38.42 88.53 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.34 0.591 . . . . 2.2 110.722 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' B' ' 56' ' ' ALA . . . -63.49 -38.43 91.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.427 -0.806 . . . . 0.54 110.596 177.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.501 ' HG3' HD22 ' A' ' 33' ' ' LEU . 9.0 tt0 -60.01 -47.92 83.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.573 -0.739 . . . . 1.56 110.226 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 48' ' ' VAL . 36.6 mt-10 -62.58 -40.9 98.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.651 -0.704 . . . . 2.36 110.221 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 43.4 m -61.46 -42.58 98.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.537 -0.756 . . . . 1.04 111.319 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 33' ' ' LEU . 18.9 mt -59.96 -43.75 94.86 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 121.16 -0.216 . . . . 1.28 110.806 177.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 41.4 tt0 -60.94 -42.15 97.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.308 -0.405 . . . . 1.76 110.882 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 44' ' ' GLU . 43.8 t -64.64 -40.94 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.006 0.431 . . . . 0.49 109.849 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HB2' ' HB2' ' B' ' 52' ' ' CYS . . . -61.25 -42.19 98.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.776 -0.647 . . . . 0.48 110.938 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 46' ' ' LEU . 71.4 mt -54.67 -51.8 47.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.062 -0.517 . . . . 0.61 110.73 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 8.6 mm100 -63.19 -36.7 84.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.961 -0.563 . . . . 1.84 110.596 -178.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' B' ' 45' ' ' SER . 72.9 m -68.11 -47.2 68.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.927 -0.579 . . . . 0.69 110.871 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.47 -40.12 96.28 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.958 0.409 . . . . 0.76 110.305 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.54 -51.47 69.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.623 -0.717 . . . . 1.65 110.385 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 m -68.1 -30.99 70.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.037 -0.529 . . . . 1.16 111.08 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.66 -61.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.976 -0.556 . . . . 1.15 111.758 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 22' ' ' ALA . 86.7 m-85 -73.64 -13.06 60.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.981 0.42 . . . . 2.05 111.283 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.29 35.95 60.0 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.741 -0.663 . . . . 2.6 111.555 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.32 152.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.962 0.41 . . . . 1.35 111.276 -175.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.9 p -139.48 -169.43 2.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.694 -0.684 . . . . 2.38 109.792 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.8 -13.37 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.528 0.68 . . . . 2.21 110.346 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.12 -23.31 67.27 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.331 0.586 . . . . 4.01 110.346 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.83 -18.98 61.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.329 -0.619 . . . . 3.62 109.329 177.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 10.1 t -76.94 -27.4 54.84 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.775 -0.648 . . . . 2.91 109.514 176.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.02 -38.39 90.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.778 -0.646 . . . . 3.46 109.978 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.44 19.99 14.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.879 -0.6 . . . . 1.87 111.361 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.97 144.19 29.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.261 0.553 . . . . 1.53 112.286 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.538 HD12 HD21 ' A' ' 72' ' ' LEU . 96.1 mt -75.56 158.87 82.75 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.481 -0.781 . . . . 1.55 110.029 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.89 -47.03 12.3 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.111 2.54 . . . . 2.74 113.253 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -121.78 157.83 30.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.862 -0.422 . . . . 2.75 109.862 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.52 140.44 42.77 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.409 0.623 . . . . 1.55 110.32 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.598 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.9 mm? -65.63 -42.73 57.65 Favored Pre-proline 0 C--O 1.22 -0.479 0 CA-C-N 115.069 -0.969 . . . . 1.79 113.152 -175.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HG2' ' HB2' ' A' ' 28' ' ' PHE . 65.5 Cg_exo -45.97 -34.58 12.92 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.365 2.044 . . . . 1.07 113.983 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.97 -44.92 71.95 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.84 -0.43 . . . . 2.28 109.84 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.63 -39.09 74.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.324 0.583 . . . . 1.38 109.713 172.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.598 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 12.8 m-30 -62.11 -32.66 73.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.396 -0.82 . . . . 2.36 110.208 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.643 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 62.0 mt-10 -76.4 -14.93 60.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.776 0.322 . . . . 2.52 111.255 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.32 -34.66 15.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.934 0.397 . . . . 0.65 110.768 174.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.8 -51.52 5.05 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.299 0.481 . . . . 0.99 112.299 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.439 ' HA ' HD11 ' B' ' 72' ' ' LEU . . . -71.51 -9.58 58.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.065 0.394 . . . . 1.56 112.065 -172.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.465 HG23 ' HB3' ' B' ' 17' ' ' ASN . 0.8 OUTLIER -73.98 -19.0 60.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.954 0.407 . . . . 2.33 110.533 174.337 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.37 109.31 0.91 Allowed Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.846 -0.616 . . . . 2.59 111.864 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.92 -0.77 . . . . 4.41 108.92 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.663 0.268 . . . . 3.68 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.59 127.49 32.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.408 -0.36 . . . . 2.42 110.501 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.643 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 13.0 p-10 -85.01 -14.06 48.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.26 -0.427 . . . . 2.52 110.285 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -57.76 -48.84 78.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.799 -0.637 . . . . 1.89 110.996 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -63.0 -46.59 86.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.444 . . . . 1.49 111.439 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.84 -34.77 79.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.194 0.521 . . . . 2.34 110.622 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 tp -58.08 -51.49 69.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.363 -0.835 . . . . 0.7 110.05 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.457 ' O ' HG13 ' B' ' 26' ' ' ILE . . . -64.08 -48.55 75.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.787 -0.642 . . . . 0.83 110.848 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 8.1 t80 -52.58 -52.86 53.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 2.99 112.034 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.28 83.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.831 0.348 . . . . 1.14 111.187 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.4 mt -69.91 -39.13 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.016 -0.538 . . . . 0.97 110.328 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 22' ' ' ALA . 49.6 mt -54.78 -55.84 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.272 -0.422 . . . . 0.78 111.115 175.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.36 -44.76 93.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.125 -0.489 . . . . 1.58 111.768 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.4 ' HB2' ' HG2' ' B' ' 73' ' ' PRO . 85.7 t80 -65.9 -46.11 79.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.532 -0.303 . . . . 1.98 111.091 -178.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.7 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 8.3 mp -64.23 -36.75 85.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.602 -0.272 . . . . 0.7 110.483 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.76 -50.99 70.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.336 -0.393 . . . . 1.41 110.625 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.81 -33.95 68.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 1.98 110.769 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.5 -37.68 81.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 1.93 110.516 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' B' ' 46' ' ' LEU . 66.7 mt -66.79 -43.33 84.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 1.22 110.405 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.99 -26.93 65.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.884 -0.598 . . . . 3.5 110.955 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -89.59 -2.86 58.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.832 0.349 . . . . 2.69 111.112 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.83 40.37 89.55 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.115 -0.564 . . . . 0.53 112.73 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.59 -36.99 93.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.024 -0.608 . . . . 0.53 112.536 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.91 178.21 4.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.157 -0.312 . . . . 0.83 110.157 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -74.75 179.94 4.52 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.965 -0.383 . . . . 1.42 109.965 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 20.9 t -63.39 -57.92 8.76 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.688 0.255 . . . . 1.63 111.688 -173.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.31 -38.54 89.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.234 0.54 . . . . 2.21 110.618 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.31 90.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.579 -0.737 . . . . 0.54 110.636 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.51 ' HG3' HD22 ' B' ' 33' ' ' LEU . 8.9 tt0 -60.08 -47.75 84.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.515 -0.766 . . . . 1.57 110.332 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.405 ' O ' HG23 ' B' ' 48' ' ' VAL . 36.1 mt-10 -62.56 -41.02 98.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.635 -0.712 . . . . 2.36 110.249 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 46.3 m -61.5 -42.63 99.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.464 -0.789 . . . . 1.04 111.266 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.741 ' HB2' HD21 ' B' ' 33' ' ' LEU . 18.7 mt -59.99 -43.64 95.03 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 121.229 -0.189 . . . . 1.28 110.748 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 41.1 tt0 -61.22 -42.05 97.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.307 -0.406 . . . . 1.75 110.821 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 44' ' ' GLU . 43.9 t -64.54 -41.07 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.025 0.441 . . . . 0.49 109.835 176.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 52' ' ' CYS . . . -61.24 -42.14 98.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.813 -0.631 . . . . 0.48 110.934 177.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 46' ' ' LEU . 71.5 mt -54.7 -51.86 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.62 110.688 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 8.6 mm100 -63.18 -36.57 84.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 1.84 110.693 -177.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 45' ' ' SER . 72.1 m -68.24 -47.24 68.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.905 -0.589 . . . . 0.69 110.84 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 0.76 110.302 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.32 -51.55 69.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.638 -0.71 . . . . 1.66 110.48 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.9 m -68.05 -30.99 70.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.999 -0.546 . . . . 1.15 110.986 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . . . -69.82 -61.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.992 -0.549 . . . . 1.14 111.751 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' B' ' 22' ' ' ALA . 86.2 m-85 -73.77 -12.79 60.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.928 0.394 . . . . 2.06 111.239 -177.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.07 35.99 60.77 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.806 -0.634 . . . . 2.6 111.544 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.23 152.74 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.003 0.43 . . . . 1.35 111.228 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.2 p -139.91 -170.8 3.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.632 -0.713 . . . . 2.38 109.692 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.68 -13.63 15.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.52 0.676 . . . . 2.21 110.471 175.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.0 -23.38 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.295 0.569 . . . . 4.0 110.407 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.8 -18.81 61.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.842 -0.617 . . . . 3.62 109.371 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.425 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 9.5 t -77.09 -27.5 54.2 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.814 -0.63 . . . . 2.92 109.474 175.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.84 -38.32 90.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.882 -0.599 . . . . 3.46 110.015 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.58 19.98 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.841 -0.618 . . . . 1.87 111.481 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.01 144.05 30.15 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.107 -0.497 . . . . 1.54 112.203 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.526 HD12 HD21 ' B' ' 72' ' ' LEU . 96.1 mt -75.48 158.95 82.85 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.539 -0.755 . . . . 1.56 110.101 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -44.91 -47.07 12.3 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.097 2.532 . . . . 2.75 113.302 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -121.82 157.92 30.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.905 -0.406 . . . . 2.76 109.905 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.49 143.83 42.35 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.52 0.676 . . . . 1.55 109.835 176.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.613 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 2.9 mm? -68.56 -42.41 26.66 Favored Pre-proline 0 C--O 1.219 -0.552 0 CA-C-N 115.072 -0.967 . . . . 1.79 112.877 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' B' ' 28' ' ' PHE . 64.6 Cg_exo -45.85 -34.59 12.48 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.405 2.07 . . . . 1.06 113.951 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.08 -44.96 71.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.993 0.425 . . . . 2.27 109.876 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.58 -38.98 74.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.373 0.606 . . . . 1.37 109.715 172.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 12.9 m-30 -62.27 -32.64 73.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.462 -0.79 . . . . 2.37 110.193 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.637 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 59.8 mt-10 -76.0 -16.53 59.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.967 0.413 . . . . 2.51 111.15 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.2 -36.11 16.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.046 0.45 . . . . 0.64 111.006 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.56 -52.04 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.512 0.56 . . . . 0.99 112.512 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.427 ' HA ' HD11 ' A' ' 72' ' ' LEU . . . -70.26 -11.66 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.144 0.424 . . . . 1.55 112.144 -173.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.439 HG23 ' HB3' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -72.57 -18.9 61.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.927 0.394 . . . . 2.33 110.84 174.571 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.3 109.57 0.93 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.91 -0.586 . . . . 2.59 111.739 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 N-CA-C 109.002 -0.74 . . . . 4.4 109.002 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.556 ' OD1' ' HG3' ' A' ' 19' ' ' LYS . 13.5 t70 . . . . . 0 CA--C 1.524 -0.053 0 CA-C-O 120.836 0.35 . . . . 2.4 110.288 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -76.18 -27.47 56.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.478 -0.328 . . . . 2.52 111.417 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -58.48 -55.63 32.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.332 -0.394 . . . . 1.9 111.261 -174.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.556 ' HG3' ' OD1' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -71.16 -22.79 62.0 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.768 -0.373 . . . . 1.49 111.143 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 83.3 mtm180 -75.69 -34.63 60.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.956 0.408 . . . . 2.34 110.583 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.662 ' HB2' ' CD2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -65.76 -35.41 80.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.869 -0.605 . . . . 0.7 109.611 178.583 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.42 -61.3 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.779 -0.646 . . . . 0.83 111.892 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 20' ' ' ARG . 7.9 p90 -64.27 -34.44 78.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.914 0.388 . . . . 2.99 110.686 -174.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.51 98.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.784 -0.643 . . . . 1.14 110.787 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.2 mt -67.75 -41.8 85.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.97 110.031 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 50' ' ' ILE . 67.6 mt -54.53 -56.05 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.78 111.719 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.44 -41.91 94.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 1.58 111.122 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.46 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 78.8 t80 -66.19 -45.09 82.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 1.98 110.227 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 5.4 mp -65.78 -27.46 68.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.7 111.082 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.69 -46.06 63.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.93 0.395 . . . . 1.41 110.317 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.91 -44.93 87.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 1.98 109.967 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -61.01 -33.08 72.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.919 -1.037 . . . . 1.92 110.995 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.3 -50.07 69.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 1.22 109.691 178.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -69.29 -25.3 64.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 3.49 110.929 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -83.24 -3.28 57.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.975 0.417 . . . . 2.68 111.438 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.35 39.92 98.33 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.901 -0.591 . . . . 0.53 112.784 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.03 -46.76 93.38 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.894 -0.669 . . . . 0.52 112.349 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.461 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 3.9 mm? -93.23 177.01 6.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.28 -0.267 . . . . 0.83 110.28 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 t -75.69 173.71 10.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.171 -0.307 . . . . 1.42 110.171 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -58.37 -53.01 63.14 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 111.599 0.222 . . . . 1.63 111.599 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -64.31 -39.6 94.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.159 0.504 . . . . 2.2 110.477 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 38' ' ' LEU . . . -64.28 -37.68 88.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.56 -0.745 . . . . 0.54 110.781 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.519 ' O ' HD21 ' A' ' 33' ' ' LEU . 34.4 mt-30 -57.44 -59.82 4.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.928 -0.578 . . . . 1.56 110.752 175.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -46.83 -44.49 19.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.192 -0.913 . . . . 2.36 111.001 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -64.77 -33.71 76.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.805 -0.634 . . . . 1.04 111.257 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.486 HD12 HD23 ' A' ' 33' ' ' LEU . 27.3 mt -63.58 -46.34 86.3 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 121.155 -0.218 . . . . 1.28 110.528 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.44 -38.77 88.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 1.76 110.6 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.98 -48.55 85.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.49 110.064 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.86 89.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.93 -0.577 . . . . 0.48 111.066 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 26' ' ' ILE . 34.5 mt -55.0 -53.47 33.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.61 111.132 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.431 HE21 HG22 ' A' ' 50' ' ' ILE . 29.5 mm-40 -64.74 -33.91 77.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 1.84 111.133 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 79.8 m -67.87 -47.62 68.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.37 -0.377 . . . . 0.69 110.711 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.55 -42.05 98.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.876 0.37 . . . . 0.76 110.493 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.1 -52.23 66.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.569 -0.741 . . . . 1.65 110.404 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 m -68.23 -34.26 75.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.746 -0.661 . . . . 1.16 111.231 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 -55.65 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 1.15 111.799 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.49 -4.95 48.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 2.05 111.393 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.09 24.4 73.79 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.047 -0.597 . . . . 2.6 112.117 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 19' ' ' LYS . 18.6 m -98.4 159.46 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.578 0.228 . . . . 1.35 110.691 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.6 p -141.11 -170.0 2.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.176 -0.466 . . . . 2.38 110.15 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.436 ' O ' ' HB3' ' A' ' 64' ' ' SER . 12.6 p -64.28 -20.37 26.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.266 0.555 . . . . 2.21 110.711 175.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -63.64 -37.63 88.06 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.482 0.658 . . . . 4.01 110.125 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.443 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 7.1 m-20 -68.46 -22.0 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 3.62 110.072 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 40.3 t -72.33 -25.44 61.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.173 -0.467 . . . . 2.91 109.881 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.58 -37.23 79.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 3.46 110.429 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.8 pp -83.77 29.61 0.53 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.127 0.489 . . . . 1.87 111.111 177.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -50.96 143.24 10.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.687 -0.688 . . . . 1.53 112.417 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.635 HD12 HD11 ' A' ' 72' ' ' LEU . 92.5 mt -81.35 161.72 61.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.332 -0.849 . . . . 1.55 110.496 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -47.75 -50.17 12.14 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.993 2.462 . . . . 2.74 113.256 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -116.75 160.18 21.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.022 -0.362 . . . . 2.75 110.022 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.9 p -72.99 142.48 47.75 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.474 0.654 . . . . 1.55 109.872 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.635 HD11 HD12 ' A' ' 68' ' ' LEU . 10.8 mp -77.35 -37.17 1.62 Allowed Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.561 -0.745 . . . . 1.79 113.0 -172.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.466 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 81.5 Cg_exo -53.12 -31.27 53.93 Favored 'Trans proline' 0 C--N 1.348 0.516 0 CA-C-N 120.325 1.152 . . . . 1.07 111.741 168.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -74.08 -35.77 64.24 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.158 -0.474 . . . . 2.28 109.865 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.622 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 8.2 mm -53.26 -49.39 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.9 -0.591 . . . . 1.38 109.787 169.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.672 ' CD2' ' HB2' ' B' ' 21' ' ' LEU . 0.8 OUTLIER -61.85 -46.65 88.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.404 -0.817 . . . . 2.36 111.477 -179.705 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.48 ' O ' ' HB ' ' A' ' 81' ' ' THR . 45.4 mt-10 -61.23 -21.66 64.07 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.955 -0.298 . . . . 2.52 111.213 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.88 -64.65 1.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.4 -0.364 . . . . 0.65 111.494 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.58 -47.03 18.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.159 0.504 . . . . 0.99 111.875 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.461 ' HB1' ' HG ' ' B' ' 72' ' ' LEU . . . -81.66 -1.14 45.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.613 -0.721 . . . . 1.56 112.236 -171.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 77' ' ' GLU . 6.3 t -70.28 -3.12 15.66 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.369 0.507 . . . . 2.33 112.369 -174.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.96 51.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 119.544 -1.313 . . . . 2.59 114.124 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.493 -0.765 . . . . 4.41 110.464 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 85.4 mmm . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.955 0.407 . . . . 3.68 110.455 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.566 ' OD1' ' HG3' ' B' ' 19' ' ' LYS . 13.5 t70 -78.45 119.06 21.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 2.42 110.229 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -76.28 -27.53 56.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.534 -0.303 . . . . 2.52 111.374 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -58.56 -55.68 31.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.406 -0.361 . . . . 1.89 111.267 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.566 ' HG3' ' OD1' ' B' ' 16' ' ' ASP . 0.1 OUTLIER -70.86 -23.05 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.706 -0.398 . . . . 1.49 111.175 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' B' ' 23' ' ' TYR . 83.3 mtm180 -75.55 -34.65 60.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.408 . . . . 2.34 110.554 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.672 ' HB2' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -65.75 -35.32 80.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.905 -0.589 . . . . 0.7 109.638 178.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.46 -61.3 2.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.74 -0.663 . . . . 0.83 111.927 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.533 ' CE2' ' HA ' ' B' ' 20' ' ' ARG . 8.0 p90 -64.2 -34.49 78.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.986 0.422 . . . . 2.99 110.709 -174.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.64 98.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.722 -0.672 . . . . 1.14 110.845 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.0 mt -67.69 -41.83 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.97 110.006 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.617 HG23 HG23 ' B' ' 50' ' ' ILE . 67.2 mt -54.56 -55.86 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.78 111.718 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -60.72 -41.75 95.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 1.58 111.116 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.468 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 79.0 t80 -66.15 -45.07 82.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.125 -0.489 . . . . 1.98 110.294 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 5.4 mp -65.77 -27.5 68.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.7 111.167 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -70.81 -46.08 63.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.88 0.371 . . . . 1.41 110.175 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.85 -44.77 88.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.504 0.669 . . . . 1.98 110.074 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -61.11 -33.06 72.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.948 -1.024 . . . . 1.93 111.001 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.4 OUTLIER -64.33 -49.9 69.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.82 -0.627 . . . . 1.22 109.692 178.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -69.26 -25.67 64.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 3.5 110.803 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -83.01 -3.3 57.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.886 0.374 . . . . 2.69 111.409 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.56 39.71 97.92 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.53 112.731 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.08 -46.56 93.77 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.895 -0.669 . . . . 0.53 112.272 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' B' ' 42' ' ' ALA . 3.8 mm? -93.48 177.17 6.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.258 -0.275 . . . . 0.83 110.258 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.6 t -75.82 173.71 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.098 -0.334 . . . . 1.42 110.098 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -58.69 -52.71 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.622 0.248 . . . . 1.63 111.588 -173.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.35 -39.5 94.01 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.184 0.516 . . . . 2.21 110.576 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' B' ' 38' ' ' LEU . . . -64.23 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 0.54 110.769 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.517 ' O ' HD21 ' B' ' 33' ' ' LEU . 34.5 mt-30 -57.36 -59.79 4.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 1.57 110.788 175.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -46.93 -44.41 19.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.287 -0.869 . . . . 2.36 110.981 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.0 t -64.87 -33.65 76.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.799 -0.637 . . . . 1.04 111.239 -178.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.5 HD12 HD23 ' B' ' 33' ' ' LEU . 27.6 mt -63.59 -46.22 86.83 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 121.155 -0.218 . . . . 1.28 110.603 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.63 -38.48 87.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.951 0.405 . . . . 1.75 110.634 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 51.3 t -64.15 -48.6 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.49 110.085 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.69 -38.93 89.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.869 -0.605 . . . . 0.48 111.171 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.617 HG23 HG23 ' B' ' 26' ' ' ILE . 34.8 mt -55.0 -53.25 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 0.62 111.187 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.435 HE21 HG22 ' B' ' 50' ' ' ILE . 29.9 mm-40 -65.07 -33.77 76.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.445 -0.343 . . . . 1.84 111.081 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -67.9 -47.72 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.404 -0.362 . . . . 0.69 110.698 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.39 -42.08 98.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.76 110.443 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.06 -52.24 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 1.66 110.338 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 9.4 m -68.42 -34.05 75.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.772 -0.649 . . . . 1.15 111.211 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.93 17.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 1.14 111.641 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.21 -5.13 48.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.899 0.38 . . . . 2.06 111.505 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.02 24.69 73.23 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.987 -0.625 . . . . 2.6 112.078 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' B' ' 19' ' ' LYS . 18.8 m -98.69 159.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.695 0.283 . . . . 1.35 110.779 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 38.2 p -141.14 -171.12 3.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.127 -0.488 . . . . 2.38 110.013 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' B' ' 64' ' ' SER . 12.4 p -63.54 -20.49 26.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.147 0.498 . . . . 2.21 110.667 175.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -63.46 -37.85 88.88 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.538 0.685 . . . . 4.0 110.162 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.455 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 7.0 m-20 -68.27 -22.07 64.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.672 -0.695 . . . . 3.62 110.114 177.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' B' ' 61' ' ' VAL . 38.9 t -72.27 -25.39 61.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.082 -0.508 . . . . 2.92 109.871 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -68.59 -37.08 79.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 3.46 110.402 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.8 pp -83.23 27.63 0.56 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.037 0.446 . . . . 1.87 111.298 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.454 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -49.73 143.1 7.71 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.728 -0.669 . . . . 1.54 112.604 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.649 HD12 HD11 ' B' ' 72' ' ' LEU . 92.6 mt -81.38 161.65 61.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.523 -0.762 . . . . 1.56 110.55 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -47.86 -49.67 13.25 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.977 2.451 . . . . 2.75 113.331 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -117.0 160.22 21.29 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.851 -0.426 . . . . 2.76 109.851 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 32.9 p -73.04 144.78 47.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.39 0.614 . . . . 1.55 109.505 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.649 HD11 HD12 ' B' ' 68' ' ' LEU . 10.9 mp -79.2 -37.12 1.19 Allowed Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.547 -0.751 . . . . 1.79 112.902 -172.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.468 ' HG2' ' CB ' ' B' ' 28' ' ' PHE . 81.8 Cg_exo -53.14 -31.36 54.51 Favored 'Trans proline' 0 C--N 1.347 0.481 0 CA-C-N 120.167 1.095 . . . . 1.06 111.613 168.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.92 -35.84 64.64 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.195 -0.457 . . . . 2.27 109.81 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.635 ' HB ' ' O ' ' B' ' 72' ' ' LEU . 8.2 mm -53.25 -49.29 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.916 -0.584 . . . . 1.37 109.799 169.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.662 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -61.92 -46.75 87.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.293 -0.867 . . . . 2.37 111.518 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.491 ' O ' ' HB ' ' B' ' 81' ' ' THR . 45.2 mt-10 -60.9 -22.91 64.8 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.91 -0.316 . . . . 2.51 111.012 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.23 -64.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.945 0.403 . . . . 0.64 111.846 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.76 -47.46 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.421 0.629 . . . . 0.99 111.934 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.454 ' HB1' ' HG ' ' A' ' 72' ' ' LEU . . . -78.08 -7.65 57.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.213 -0.903 . . . . 1.55 112.217 -172.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' B' ' 77' ' ' GLU . 6.2 t -67.48 -2.23 6.13 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.548 0.573 . . . . 2.33 112.548 -172.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.78 51.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 119.541 -1.314 . . . . 2.59 113.985 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.372 -0.823 . . . . 4.4 110.406 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 120.646 0.26 . . . . 2.4 110.308 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -81.78 -6.35 58.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.959 0.409 . . . . 2.52 109.909 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -62.72 -46.46 88.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 1.9 110.767 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 20' ' ' ARG . 12.9 ptpt -65.96 -34.64 78.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 1.49 110.418 178.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.613 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 95.5 mtt180 -71.18 -37.24 72.18 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.602 -0.726 . . . . 2.34 109.791 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' B' ' 76' ' ' PHE . 8.7 tp -55.83 -47.52 77.08 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.958 -1.019 . . . . 0.7 110.121 172.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.1 -60.23 3.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.876 -0.602 . . . . 0.83 112.51 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.613 ' CD2' ' HA ' ' A' ' 20' ' ' ARG . 1.8 p90 -64.07 -37.96 89.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.762 0.315 . . . . 2.99 110.966 -172.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 1.14 110.657 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.424 HG23 HD13 ' A' ' 29' ' ' LEU . 23.4 mt -64.2 -43.97 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.97 109.879 173.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.12 -46.35 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.78 111.028 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 27.1 mm-40 -56.35 -52.07 65.94 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.898 0.38 . . . . 1.58 110.903 -178.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.44 -47.86 58.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.977 -0.556 . . . . 1.98 111.298 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.55 HD23 HD11 ' A' ' 46' ' ' LEU . 8.8 mp -65.21 -28.79 69.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.761 0.282 . . . . 0.7 111.761 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -67.09 -43.59 82.18 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.945 -0.391 . . . . 1.41 109.945 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.72 -45.59 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 1.98 109.91 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.418 ' HG2' ' HA3' ' A' ' 37' ' ' GLY . 0.8 OUTLIER -59.45 -38.55 81.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.306 -0.861 . . . . 1.92 111.054 178.008 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.31 -45.99 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.625 -0.509 . . . . 1.22 109.625 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -68.59 -34.95 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.784 -0.644 . . . . 3.49 110.559 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -73.28 -35.81 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.657 -0.702 . . . . 2.68 111.458 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.77 43.69 2.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.918 -0.658 . . . . 0.53 112.214 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.418 ' HA3' ' HG2' ' A' ' 32' ' ' GLN . . . -65.18 -65.66 2.82 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.004 -0.617 . . . . 0.52 112.855 -177.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.88 -174.78 5.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.7 0.286 . . . . 0.83 111.191 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.8 m -77.24 177.87 7.55 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.89 0.329 . . . . 1.42 111.89 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 p -59.6 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.63 112.047 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.49 -32.67 72.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.296 0.57 . . . . 2.2 110.683 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.86 65.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.455 -0.793 . . . . 0.54 110.707 177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -52.37 -60.26 3.44 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.266 0.626 . . . . 1.56 112.621 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.5 pt-20 -53.51 -44.52 69.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.845 0.313 . . . . 2.36 111.845 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.6 m -65.71 -34.72 78.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.579 0.705 . . . . 1.04 110.151 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.55 HD11 HD23 ' A' ' 29' ' ' LEU . 21.8 tp -70.23 -35.41 73.82 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.069 -0.968 . . . . 1.28 110.763 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.13 -39.02 92.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.116 0.484 . . . . 1.76 109.802 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 44' ' ' GLU . 54.5 t -62.75 -42.53 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.65 . . . . 0.49 109.725 175.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' B' ' 52' ' ' CYS . . . -56.78 -40.71 76.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.743 -0.662 . . . . 0.48 111.252 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 46' ' ' LEU . 70.7 mt -55.48 -52.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.61 110.922 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.82 -27.73 65.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 1.84 111.461 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.433 ' CB ' ' HB2' ' B' ' 49' ' ' ALA . 70.7 m -70.79 -45.74 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.017 -0.273 . . . . 0.69 110.471 177.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.27 -41.94 99.06 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.663 -0.495 . . . . 0.76 109.663 175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -50.07 -56.07 12.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.756 -1.111 . . . . 1.65 110.615 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.0 m -69.55 -35.26 75.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.436 -0.802 . . . . 1.16 111.527 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.0 -56.61 13.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 1.15 112.059 -176.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -80.13 -5.51 56.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.892 0.377 . . . . 2.05 111.192 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.49 32.86 71.65 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.036 -0.602 . . . . 2.6 111.752 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -104.6 148.4 9.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.028 0.442 . . . . 1.35 111.021 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.0 p -137.94 -168.45 2.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.634 -0.712 . . . . 2.38 110.251 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.02 -21.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.988 0.423 . . . . 2.21 110.473 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -63.82 -42.56 97.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.56 0.695 . . . . 4.01 109.711 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -73.32 -15.27 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.604 -0.725 . . . . 3.62 110.148 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 15.7 m -86.9 -11.95 49.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.707 -0.679 . . . . 2.91 109.842 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 67' ' ' ALA . 27.2 t70 -81.7 -32.08 31.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 3.46 110.282 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -80.15 28.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.2 0.524 . . . . 1.87 110.533 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -49.83 133.29 22.06 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.102 -0.954 . . . . 1.53 112.58 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.9 mt -73.37 158.53 86.52 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 114.726 -1.124 . . . . 1.55 110.125 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -40.55 -46.84 4.55 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.47 2.78 . . . . 2.74 113.596 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -128.76 153.34 47.47 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.698 -0.482 . . . . 2.75 109.698 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.85 139.97 57.78 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.576 0.703 . . . . 1.55 110.911 177.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.829 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 37.3 mt -71.74 -35.13 3.46 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 113.994 1.109 . . . . 1.79 113.994 -170.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -50.49 -30.58 28.1 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.497 1.464 . . . . 1.07 112.731 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.26 -38.86 63.32 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.725 0.298 . . . . 2.28 110.345 176.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 20.8 mm -54.19 -48.09 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 121.286 0.565 . . . . 1.38 109.915 173.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.823 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 0.4 OUTLIER -63.63 -40.09 96.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.337 -0.847 . . . . 2.36 111.276 179.008 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.35 -29.99 70.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.267 0.555 . . . . 2.52 110.346 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.26 -52.44 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 0.65 111.891 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.82 -44.19 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.681 0.623 . . . . 0.99 112.681 -170.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.91 -9.76 59.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.302 0.482 . . . . 1.56 112.302 -169.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -72.13 2.2 6.23 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.394 0.516 . . . . 2.33 112.394 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.16 156.25 9.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.899 -0.667 . . . . 2.59 112.358 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.778 -0.629 . . . . 4.41 111.636 179.509 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.916 -0.402 . . . . 3.68 109.916 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -73.86 115.82 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.318 -0.401 . . . . 2.42 110.369 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -81.76 -6.55 59.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.093 0.473 . . . . 2.52 109.934 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -62.66 -46.56 87.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 1.89 110.785 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' B' ' 20' ' ' ARG . 12.9 ptpt -65.87 -34.74 78.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.069 0.462 . . . . 1.49 110.339 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.606 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . 95.5 mtt180 -71.05 -37.34 72.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.683 -0.69 . . . . 2.34 109.891 -178.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 76' ' ' PHE . 8.8 tp -55.68 -47.56 76.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.928 -1.033 . . . . 0.7 110.143 172.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.2 -60.14 4.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.911 -0.586 . . . . 0.83 112.53 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.606 ' CD2' ' HA ' ' B' ' 20' ' ' ARG . 1.9 p90 -64.11 -37.88 89.06 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.862 -0.335 . . . . 2.99 110.936 -172.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.96 0.41 . . . . 1.14 110.621 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.441 HG23 HD13 ' B' ' 29' ' ' LEU . 23.0 mt -64.24 -43.93 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.819 -0.628 . . . . 0.97 109.857 173.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.13 -46.23 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.78 111.085 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 27.8 mm-40 -56.41 -51.98 66.33 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.901 0.381 . . . . 1.58 110.96 -178.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -70.48 -47.86 58.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.945 -0.57 . . . . 1.98 111.326 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.544 HD23 HD11 ' B' ' 46' ' ' LEU . 8.8 mp -65.36 -28.64 69.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.765 0.283 . . . . 0.7 111.765 -176.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -67.16 -43.75 81.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.891 -0.411 . . . . 1.41 109.891 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.73 -45.36 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 1.98 109.82 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.41 ' HG2' ' HA3' ' B' ' 37' ' ' GLY . 0.8 OUTLIER -59.62 -38.47 81.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.386 -0.825 . . . . 1.93 111.06 177.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -63.37 -46.05 88.29 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.668 -0.493 . . . . 1.22 109.668 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -68.52 -35.25 77.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.68 . . . . 3.5 110.391 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -73.05 -35.93 66.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.84 -0.618 . . . . 2.69 111.416 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.28 42.81 2.69 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.836 -0.697 . . . . 0.53 112.258 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.41 ' HA3' ' HG2' ' B' ' 32' ' ' GLN . . . -64.72 -65.47 2.95 Favored Glycine 0 C--O 1.235 0.172 0 C-N-CA 121.009 -0.615 . . . . 0.53 112.986 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 38' ' ' LEU . 4.2 mm? -81.95 -174.91 5.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.688 0.28 . . . . 0.83 111.157 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 32.2 m -77.1 177.92 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.458 -0.337 . . . . 1.42 111.891 -177.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.0 p -60.0 -63.66 1.22 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.322 -0.399 . . . . 1.63 112.052 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.75 -32.83 73.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.189 0.519 . . . . 2.21 110.604 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.1 64.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.496 -0.774 . . . . 0.54 110.827 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -52.21 -60.22 3.46 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 112.716 0.635 . . . . 1.57 112.716 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 48' ' ' VAL . 9.5 pt-20 -53.61 -44.52 69.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.58 -0.282 . . . . 2.36 111.728 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -65.76 -34.68 78.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.532 0.682 . . . . 1.04 110.092 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.544 HD11 HD23 ' B' ' 29' ' ' LEU . 22.0 tp -70.25 -35.45 73.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.143 -0.935 . . . . 1.28 110.658 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.09 -38.98 92.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.116 0.484 . . . . 1.75 109.806 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 44' ' ' GLU . 54.3 t -62.8 -42.47 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.797 -0.638 . . . . 0.49 109.643 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' A' ' 52' ' ' CYS . . . -56.91 -40.64 76.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.761 -0.654 . . . . 0.48 111.208 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.49 HG13 ' O ' ' B' ' 46' ' ' LEU . 70.8 mt -55.36 -52.86 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.62 110.993 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.75 -27.76 65.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 1.84 111.577 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.423 ' CB ' ' HB2' ' A' ' 49' ' ' ALA . 70.9 m -70.76 -45.7 64.28 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.007 -0.277 . . . . 0.69 110.509 177.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.32 -41.97 98.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.16 0.505 . . . . 0.76 109.668 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -49.9 -56.02 12.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.762 -1.108 . . . . 1.66 110.746 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 27.5 m -69.89 -34.73 73.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.32 -0.855 . . . . 1.15 111.627 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.28 -56.6 13.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 1.14 112.059 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -80.25 -5.44 56.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.81 0.338 . . . . 2.06 111.183 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.73 32.52 70.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.902 -0.666 . . . . 2.6 111.834 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -104.64 148.44 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.99 0.424 . . . . 1.35 111.021 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 30.2 p -138.26 -170.26 2.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.532 -0.758 . . . . 2.38 110.219 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.3 p -60.67 -21.12 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.931 0.396 . . . . 2.21 110.511 175.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -63.76 -42.47 97.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.524 0.678 . . . . 4.0 109.883 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -73.47 -15.23 61.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.585 -0.734 . . . . 3.62 110.112 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 15.4 m -86.5 -12.68 48.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.708 -0.678 . . . . 2.92 109.859 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' ALA . 27.3 t70 -81.17 -32.42 33.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.966 -0.561 . . . . 3.46 110.262 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.5 27.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.184 0.516 . . . . 1.87 110.691 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.481 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -48.78 133.12 17.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.015 -0.993 . . . . 1.54 112.679 -176.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 63.4 mt -73.32 158.52 86.6 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 114.832 -1.076 . . . . 1.56 110.042 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -40.64 -46.66 4.65 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.606 2.871 . . . . 2.75 113.699 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -128.61 154.47 46.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.604 -0.517 . . . . 2.76 109.604 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.83 143.55 54.54 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.66 0.743 . . . . 1.55 110.128 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.823 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 37.1 mt -74.3 -35.01 2.11 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 114.95 -1.023 . . . . 1.79 113.654 -170.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -50.46 -30.56 27.81 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.47 1.447 . . . . 1.06 112.746 171.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.31 -38.75 63.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.657 0.265 . . . . 2.27 110.375 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' B' ' 72' ' ' LEU . 20.8 mm -54.37 -48.02 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 121.273 0.558 . . . . 1.37 109.912 173.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.829 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -63.62 -40.16 96.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.329 -0.851 . . . . 2.37 111.211 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.36 -30.34 70.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.24 0.543 . . . . 2.51 110.237 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.65 -52.47 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.835 -0.62 . . . . 0.64 112.064 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.83 -44.51 10.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.812 0.671 . . . . 0.99 112.812 -170.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.86 -11.67 60.91 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.325 0.491 . . . . 1.55 112.325 -169.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -70.71 1.8 4.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.625 0.602 . . . . 2.33 112.625 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.38 156.08 9.64 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.777 -0.725 . . . . 2.59 112.443 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.822 -0.609 . . . . 4.4 111.717 179.553 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.067 0.46 . . . . 2.4 111.381 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.549 HD21 ' HB3' ' B' ' 76' ' ' PHE . 2.4 t-20 -82.34 -41.98 19.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.358 -0.837 . . . . 2.52 111.077 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -62.38 -48.1 81.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.975 -0.557 . . . . 1.9 111.812 -172.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -68.89 -28.22 66.49 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.786 -0.366 . . . . 1.49 111.313 -179.042 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.523 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 95.8 mtt180 -75.73 -36.22 59.99 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.761 -0.375 . . . . 2.34 110.137 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.92 -45.17 91.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.58 -0.737 . . . . 0.7 110.601 175.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -57.6 -65.96 0.55 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.83 112.664 -176.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 3.2 p90 -62.95 -33.34 75.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 2.99 110.626 -172.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB1' ' CG ' ' A' ' 72' ' ' LEU . . . -61.86 -42.47 99.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.662 -0.699 . . . . 1.14 111.194 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 55.5 mt -68.56 -36.25 73.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.839 -0.619 . . . . 0.97 109.923 175.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 23' ' ' TYR . 65.9 mt -58.82 -38.79 74.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.324 -0.398 . . . . 0.78 110.193 174.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 31.2 mm-40 -54.51 -52.09 63.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.349 0.595 . . . . 1.58 110.638 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.489 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 66.2 t80 -69.22 -48.15 62.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.358 -0.837 . . . . 1.98 110.567 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.563 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 8.6 mp -61.16 -30.75 70.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.7 111.753 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -59.92 -57.74 11.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.111 0.482 . . . . 1.41 110.71 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -34.69 71.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.938 -0.574 . . . . 1.98 110.652 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' A' ' 29' ' ' LEU . 8.2 tt0 -64.37 -32.87 74.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.768 -0.651 . . . . 1.92 110.467 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -62.51 -54.15 44.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.622 -0.717 . . . . 1.22 109.599 178.664 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.502 -0.772 . . . . 3.49 111.017 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -83.39 -15.17 50.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 2.68 111.021 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.77 42.89 15.89 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.113 -0.565 . . . . 0.53 112.42 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.5 -44.48 96.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.062 -0.59 . . . . 0.52 112.988 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.42 HD23 HD11 ' A' ' 46' ' ' LEU . 4.3 mm? -100.04 -176.08 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.571 0.224 . . . . 0.83 110.818 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -73.62 -176.84 2.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.378 -0.373 . . . . 1.42 110.895 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 p -62.92 -60.92 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.001 0.371 . . . . 1.63 112.001 -175.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.32 -37.56 85.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.291 0.567 . . . . 2.2 110.444 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -60.99 -39.17 88.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.287 -0.869 . . . . 0.54 110.929 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.541 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.9 tt0 -59.47 -53.6 56.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.713 -0.676 . . . . 1.56 110.316 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -56.99 -34.22 67.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.024 -0.535 . . . . 2.36 110.732 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -70.07 -27.46 64.64 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.698 -0.683 . . . . 1.04 111.232 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.601 ' HB2' HD23 ' A' ' 33' ' ' LEU . 55.7 mt -62.94 -49.46 74.66 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.774 -0.454 . . . . 1.28 109.774 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.63 -42.4 83.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 1.76 110.751 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.0 -48.89 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.49 110.2 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.94 80.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.806 -0.634 . . . . 0.48 111.367 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 46' ' ' LEU . 63.5 mt -55.57 -52.52 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.61 110.525 176.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -64.9 -35.73 82.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 1.84 110.57 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.1 m -66.02 -51.69 56.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.69 110.973 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.458 HD11 HD11 ' B' ' 53' ' ' LEU . 28.6 mt -67.71 -35.73 79.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.392 0.139 . . . . 0.76 111.209 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 28.4 tt0 -56.96 -50.45 72.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.186 0.517 . . . . 1.65 109.684 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.7 m -72.11 -28.21 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.445 -0.798 . . . . 1.16 111.249 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.55 ' HB1' HD23 ' B' ' 46' ' ' LEU . . . -74.54 -56.05 5.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.168 -0.469 . . . . 1.15 112.015 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 46.6 m-85 -73.81 -12.61 60.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.955 0.407 . . . . 2.05 111.033 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.14 34.99 31.56 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.815 -0.63 . . . . 2.6 111.91 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.447 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 27.7 m -107.51 163.06 5.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.676 0.274 . . . . 1.35 110.479 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.0 p -142.58 -172.48 3.64 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.007 -0.542 . . . . 2.38 110.317 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 64' ' ' SER . 14.4 p -67.83 -18.68 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.214 0.531 . . . . 2.21 110.34 174.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.65 -39.4 80.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 4.01 109.739 173.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -71.41 -20.02 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.585 -0.734 . . . . 3.62 109.529 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 38.7 t -76.02 -23.55 55.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.319 -0.855 . . . . 2.91 110.034 173.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.39 -34.85 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 3.46 110.733 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp -82.08 26.92 0.5 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.362 -0.381 . . . . 1.87 111.364 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -52.19 133.19 34.02 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.986 0.735 . . . . 1.53 112.986 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.446 HD12 HD11 ' A' ' 72' ' ' LEU . 86.2 mt -67.39 145.37 98.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.359 -0.837 . . . . 1.55 110.333 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.22 -49.8 15.77 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.156 2.571 . . . . 2.74 112.528 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.496 HE22 ' HB3' ' B' ' 83' ' ' LYS . 22.1 pt20 -75.56 141.29 42.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.348 -0.842 . . . . 2.75 110.24 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.568 ' O ' HG12 ' A' ' 75' ' ' ILE . 2.3 p -76.36 135.09 39.51 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.541 -0.54 . . . . 1.55 109.541 174.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.446 HD11 HD12 ' A' ' 68' ' ' LEU . 3.8 mm? -81.36 -50.1 0.95 Allowed Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 113.562 0.949 . . . . 1.79 113.562 -165.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.555 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 68.5 Cg_exo -57.08 -28.91 81.08 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.046 1.164 . . . . 1.07 111.955 172.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.75 -45.4 64.88 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.966 0.412 . . . . 2.28 110.223 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 71' ' ' THR . 23.6 mm -58.34 -38.24 68.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.564 0.697 . . . . 1.38 109.759 173.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.534 ' HB3' HD21 ' B' ' 17' ' ' ASN . 2.2 t80 -63.97 -31.35 72.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.046 -0.979 . . . . 2.36 110.24 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 43.3 mt-10 -67.58 -42.86 81.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.095 0.474 . . . . 2.52 110.557 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.02 -51.64 15.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.073 -0.512 . . . . 0.65 111.844 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.79 -64.23 1.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 0.99 111.703 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.68 69.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.707 -0.678 . . . . 1.56 111.922 -171.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 77' ' ' GLU . 3.7 m -95.75 -8.67 33.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.329 0.585 . . . . 2.33 110.617 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.14 -36.27 6.03 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.877 -0.677 . . . . 2.59 112.312 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HB3' HE22 ' B' ' 70' ' ' GLN . 28.8 tptp . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.384 -0.817 . . . . 4.41 110.015 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.714 0.292 . . . . 3.68 110.404 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -105.08 130.63 53.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.13 0.491 . . . . 2.42 111.307 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.534 HD21 ' HB3' ' A' ' 76' ' ' PHE . 2.4 t-20 -82.52 -42.17 18.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.319 -0.855 . . . . 2.52 110.902 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' B' ' 18' ' ' LYS . 13.5 mptt -62.25 -48.1 81.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 1.89 111.753 -172.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.523 ' HD3' ' N ' ' B' ' 20' ' ' ARG . 0.1 OUTLIER -68.94 -28.23 66.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.703 -0.399 . . . . 1.49 111.329 -178.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.523 ' N ' ' HD3' ' B' ' 19' ' ' LYS . 95.8 mtt180 -75.63 -36.32 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 2.34 110.14 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.81 -45.21 90.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.587 -0.733 . . . . 0.7 110.628 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.574 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -57.59 -66.05 0.53 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.83 112.615 -176.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.567 ' OH ' ' HA ' ' B' ' 67' ' ' ALA . 3.2 p90 -62.84 -33.41 75.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 2.99 110.623 -172.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.424 ' HB1' ' CG ' ' B' ' 72' ' ' LEU . . . -61.76 -42.61 99.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.575 -0.739 . . . . 1.14 111.118 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 55.8 mt -68.56 -36.21 73.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.887 -0.597 . . . . 0.97 109.935 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' B' ' 23' ' ' TYR . 65.8 mt -58.85 -38.84 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.307 -0.406 . . . . 0.78 110.208 174.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 31.4 mm-40 -54.32 -52.3 61.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.338 0.589 . . . . 1.58 110.667 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.478 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 66.1 t80 -69.21 -47.99 63.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.314 -0.857 . . . . 1.98 110.605 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.549 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 8.6 mp -61.18 -30.79 70.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 0.7 111.754 -178.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -59.86 -57.68 11.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.1 0.476 . . . . 1.41 110.724 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -34.89 71.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.94 -0.573 . . . . 1.98 110.63 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.444 HE21 ' HA ' ' B' ' 29' ' ' LEU . 8.2 tt0 -64.07 -33.02 74.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.725 -0.67 . . . . 1.93 110.466 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' B' ' 46' ' ' LEU . 0.6 OUTLIER -62.5 -53.89 48.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.654 -0.703 . . . . 1.22 109.606 178.839 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -69.47 -25.65 64.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.479 -0.782 . . . . 3.5 110.909 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -83.81 -14.82 50.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.867 0.365 . . . . 2.69 111.099 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.82 42.29 17.13 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.971 -0.633 . . . . 0.53 112.449 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.97 -44.97 96.6 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.96 -0.638 . . . . 0.53 113.015 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.416 HD23 HD11 ' B' ' 46' ' ' LEU . 4.3 mm? -99.57 -176.08 3.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.613 0.244 . . . . 0.83 110.84 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -73.58 -177.02 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 1.42 110.799 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.0 p -62.64 -61.19 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.045 0.387 . . . . 1.63 112.045 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -66.04 -37.6 86.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.27 0.557 . . . . 2.21 110.478 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -61.03 -39.05 88.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.385 -0.825 . . . . 0.54 110.97 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.551 ' O ' HD21 ' B' ' 33' ' ' LEU . 8.9 tt0 -59.54 -53.69 55.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.657 -0.701 . . . . 1.57 110.299 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -56.93 -34.03 67.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 2.36 110.785 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -70.42 -27.31 64.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.706 -0.679 . . . . 1.04 111.155 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.582 ' HB2' HD23 ' B' ' 33' ' ' LEU . 56.3 mt -62.93 -49.57 74.25 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.847 -0.427 . . . . 1.28 109.847 176.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.73 -42.28 83.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.791 -0.64 . . . . 1.75 110.818 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.01 -48.84 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.49 110.216 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.92 80.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.636 . . . . 0.48 111.386 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.444 HG13 ' O ' ' B' ' 46' ' ' LEU . 63.5 mt -55.64 -52.42 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.62 110.565 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -64.87 -36.04 83.06 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.163 -0.471 . . . . 1.84 110.426 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 83.3 m -65.76 -51.83 55.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.69 110.984 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.458 HD11 HD11 ' A' ' 53' ' ' LEU . 29.0 mt -67.62 -35.65 79.33 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.348 -0.141 . . . . 0.76 111.248 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 28.7 tt0 -56.98 -50.46 72.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.267 0.555 . . . . 1.66 109.682 177.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.9 m -72.18 -28.2 63.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.413 -0.812 . . . . 1.15 111.263 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.546 ' HB1' HD23 ' A' ' 46' ' ' LEU . . . -74.66 -56.02 5.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 1.14 111.972 -176.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 47.3 m-85 -73.68 -12.77 60.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.846 0.355 . . . . 2.06 111.085 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.17 35.19 30.95 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.993 -0.622 . . . . 2.6 111.909 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 28.2 m -107.7 162.41 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.747 0.308 . . . . 1.35 110.368 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -141.68 -172.28 3.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.784 -0.644 . . . . 2.38 110.424 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' B' ' 64' ' ' SER . 14.3 p -68.05 -18.44 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.27 0.557 . . . . 2.21 110.317 174.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.71 -39.39 80.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 4.0 109.761 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.28 -20.06 62.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.538 -0.755 . . . . 3.62 109.657 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.488 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 38.4 t -76.01 -23.38 55.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.387 -0.824 . . . . 2.92 110.074 173.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.64 -34.73 67.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 3.46 110.775 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -81.83 26.34 0.51 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.311 -0.404 . . . . 1.87 111.45 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.567 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -51.85 133.01 32.29 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.012 0.745 . . . . 1.54 113.012 -176.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.45 HD12 HD11 ' B' ' 72' ' ' LEU . 86.0 mt -67.28 145.46 98.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.22 -0.9 . . . . 1.56 110.29 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.57 -49.33 17.22 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 123.06 2.507 . . . . 2.75 112.667 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . 0.476 HE22 ' HB3' ' A' ' 83' ' ' LYS . 22.1 pt20 -75.92 141.75 42.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.359 -0.837 . . . . 2.76 110.108 -177.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . 0.615 ' O ' HG12 ' B' ' 75' ' ' ILE . 1.6 p -76.92 140.36 40.49 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.553 -0.906 . . . . 1.55 108.553 175.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.458 ' HB2' ' HD3' ' B' ' 73' ' ' PRO . 3.8 mm? -84.03 -50.76 0.62 Allowed Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 113.578 0.955 . . . . 1.79 113.578 -166.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.551 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 69.9 Cg_exo -56.98 -28.84 80.19 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 121.194 1.263 . . . . 1.06 111.862 173.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.96 -45.27 64.41 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.886 0.374 . . . . 2.27 110.292 176.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.615 HG12 ' O ' ' B' ' 71' ' ' THR . 23.6 mm -58.28 -38.34 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 1.37 109.884 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.549 ' HB3' HD21 ' A' ' 17' ' ' ASN . 2.2 t80 -63.91 -31.33 72.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.025 -0.988 . . . . 2.37 110.257 178.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.554 ' O ' ' HB ' ' B' ' 81' ' ' THR . 43.7 mt-10 -67.49 -42.95 82.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.017 0.436 . . . . 2.51 110.54 176.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.01 -51.72 15.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 0.64 111.664 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.35 -62.52 1.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.097 0.475 . . . . 0.99 111.905 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.69 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.852 -0.613 . . . . 1.55 111.815 -171.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' B' ' 77' ' ' GLU . 3.8 m -95.6 -8.83 33.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.249 0.547 . . . . 2.33 110.626 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.08 -36.28 6.04 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.856 -0.688 . . . . 2.59 112.276 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . 0.496 ' HB3' HE22 ' A' ' 70' ' ' GLN . 28.8 tptp . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.383 -0.817 . . . . 4.4 109.883 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 121.116 0.484 . . . . 2.4 111.142 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -66.93 -33.77 76.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.684 -0.689 . . . . 2.52 110.26 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.86 -48.85 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.858 -0.61 . . . . 1.9 111.629 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB2' ' HE3' ' A' ' 19' ' ' LYS . 20.4 ptmt -69.6 -35.92 75.74 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.901 -0.32 . . . . 1.49 111.166 -177.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.447 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 48.0 mtm105 -72.04 -33.99 68.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.097 0.475 . . . . 2.34 110.384 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.664 HD13 ' CD2' ' B' ' 76' ' ' PHE . 6.1 tp -59.56 -47.76 84.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.176 -0.92 . . . . 0.7 110.832 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -60.65 -62.26 1.99 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.815 0.672 . . . . 0.83 112.815 -175.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 4.2 p90 -60.74 -37.97 83.6 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.891 0.377 . . . . 2.99 111.325 -170.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.15 99.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.986 -0.552 . . . . 1.14 110.969 -177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.3 mt -72.43 -38.34 60.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.078 -0.51 . . . . 0.97 109.908 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.557 HG23 HG23 ' A' ' 50' ' ' ILE . 48.4 mt -53.33 -49.45 52.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.78 111.496 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' HIS . 16.7 mm100 -60.02 -45.32 93.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 1.58 111.162 -178.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.69 -37.88 85.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.244 0.545 . . . . 1.98 110.689 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.506 ' HA ' HE21 ' A' ' 32' ' ' GLN . 7.2 mp -70.9 -28.18 64.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 0.7 110.823 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' A' ' 27' ' ' GLN . 35.6 t-80 -61.44 -46.04 91.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 1.41 110.103 174.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.15 -50.75 70.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 1.98 110.204 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 29' ' ' LEU . 19.2 mt-30 -52.68 -40.93 63.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 1.92 111.521 176.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -51.38 69.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.687 -0.688 . . . . 1.22 111.006 -176.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -91.59 -14.56 30.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.327 0.492 . . . . 3.49 112.327 -171.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -93.29 -7.42 45.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 2.68 111.143 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.59 43.05 10.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.53 112.667 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.39 -73.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.52 111.795 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -69.02 170.56 9.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.255 -0.276 . . . . 0.83 110.255 174.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -71.25 165.5 23.53 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.304 -0.258 . . . . 1.42 110.304 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -57.44 -54.16 49.97 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.747 0.277 . . . . 1.63 111.747 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.85 -36.15 74.11 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.269 0.557 . . . . 2.2 110.547 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -67.05 -48.0 69.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.331 -0.85 . . . . 0.54 110.514 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -49.22 -58.24 5.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.69 -0.686 . . . . 1.56 111.779 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.1 mt-10 -43.32 -53.59 5.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.314 -0.857 . . . . 2.36 111.92 177.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.9 t -73.81 -28.11 61.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.47 . . . . 1.04 110.639 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.85 -44.22 90.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 1.28 110.894 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.94 -36.14 81.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.844 0.354 . . . . 1.76 110.112 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 44' ' ' GLU . 94.5 t -60.43 -44.45 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.71 -0.478 . . . . 0.49 109.71 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -58.65 -39.72 81.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.713 -0.676 . . . . 0.48 111.18 178.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.557 HG23 HG23 ' A' ' 26' ' ' ILE . 68.6 mt -54.92 -57.23 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.61 111.261 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -63.6 -31.74 73.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.467 -0.333 . . . . 1.84 111.72 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.1 m -69.11 -44.95 71.4 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.091 -0.244 . . . . 0.69 110.676 178.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 95.8 mt -61.96 -39.75 93.21 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.056 0.455 . . . . 0.76 109.957 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -52.56 -55.97 18.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.132 -0.94 . . . . 1.65 110.831 177.146 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.7 m -72.17 -34.99 68.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.211 -0.45 . . . . 1.16 111.314 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.5 64.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.365 -0.38 . . . . 1.15 111.467 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 79.0 m-85 -82.56 -10.19 59.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.852 0.358 . . . . 2.05 111.371 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.16 28.17 66.87 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.065 -0.588 . . . . 2.6 111.912 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 29.8 m -100.6 156.78 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.919 0.39 . . . . 1.35 110.577 -177.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.9 p -137.96 -174.64 3.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.86 -0.609 . . . . 2.38 110.609 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.09 -22.9 32.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.956 0.408 . . . . 2.21 110.428 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HA ' ' OD2' ' A' ' 65' ' ' ASP . 33.5 mm-40 -64.12 -39.9 95.03 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.823 0.821 . . . . 4.01 109.775 175.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -72.12 -11.08 60.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.142 -0.935 . . . . 3.62 110.179 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.551 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 31.7 t -87.98 -18.84 28.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.683 -0.689 . . . . 2.91 109.743 175.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 67' ' ' ALA . 33.7 m-20 -72.14 -34.51 68.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.222 -0.444 . . . . 3.46 110.303 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.93 27.46 0.23 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.186 -0.461 . . . . 1.87 110.945 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -48.42 130.45 16.65 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.254 -0.885 . . . . 1.53 112.78 -176.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.503 HD12 HD11 ' A' ' 72' ' ' LEU . 96.4 mt -69.85 159.08 85.49 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 114.939 -1.028 . . . . 1.55 110.548 177.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -44.81 -50.57 8.33 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.311 2.674 . . . . 2.74 113.321 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -118.43 152.63 35.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.036 -0.529 . . . . 2.75 109.951 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.3 p -73.17 141.4 47.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.461 0.648 . . . . 1.55 110.074 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.655 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 10.1 mp -69.98 -42.59 17.93 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.115 -0.948 . . . . 1.79 113.082 -172.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.45 -31.38 68.4 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.465 1.443 . . . . 1.07 112.197 171.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -74.52 -37.69 63.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.75 0.31 . . . . 2.28 110.227 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.1 mt -55.56 -51.02 62.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.343 0.592 . . . . 1.38 110.242 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.667 ' CD2' HD13 ' B' ' 21' ' ' LEU . 0.9 OUTLIER -61.78 -36.27 80.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.35 -0.841 . . . . 2.36 111.975 -178.785 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -54.54 -35.41 63.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.098 0.475 . . . . 2.52 109.862 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.62 -55.6 3.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.081 -0.509 . . . . 0.65 111.528 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.85 -57.36 4.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.627 0.602 . . . . 0.99 112.627 -172.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.37 -21.71 61.25 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.301 0.482 . . . . 1.56 112.301 -169.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.451 ' HA ' ' NH1' ' B' ' 20' ' ' ARG . 50.7 m -74.63 -28.41 60.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.711 0.263 . . . . 2.33 111.711 -178.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -176.66 115.46 0.52 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 119.671 -1.252 . . . . 2.59 113.368 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.74 -0.647 . . . . 4.41 109.386 173.204 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.963 0.411 . . . . 3.68 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.75 127.41 31.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.83 -0.623 . . . . 2.42 111.119 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -66.98 -33.78 76.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.693 -0.685 . . . . 2.52 110.227 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.87 -48.83 80.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.888 -0.596 . . . . 1.89 111.609 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' B' ' 19' ' ' LYS . 20.4 ptmt -69.58 -35.88 75.76 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.899 -0.32 . . . . 1.49 111.2 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.451 ' NH1' ' HA ' ' A' ' 81' ' ' THR . 48.0 mtm105 -72.1 -34.01 68.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.163 0.506 . . . . 2.34 110.397 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.667 HD13 ' CD2' ' A' ' 76' ' ' PHE . 6.1 tp -59.51 -47.81 84.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.189 -0.914 . . . . 0.7 110.771 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.48 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -60.7 -62.24 2.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.741 0.645 . . . . 0.83 112.741 -175.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.556 ' CD1' ' HA ' ' B' ' 64' ' ' SER . 4.3 p90 -60.84 -38.01 84.03 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.904 0.383 . . . . 2.99 111.221 -170.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.31 99.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.54 . . . . 1.14 110.975 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 46.4 mt -72.29 -38.38 61.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.096 -0.502 . . . . 0.97 109.964 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.573 HG23 HG23 ' B' ' 50' ' ' ILE . 47.8 mt -53.27 -49.57 51.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.504 . . . . 0.78 111.443 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -60.0 -45.32 93.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.712 0.292 . . . . 1.58 111.193 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -66.76 -37.76 85.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.146 0.498 . . . . 1.98 110.665 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.5 ' HA ' HE21 ' B' ' 32' ' ' GLN . 7.2 mp -70.76 -28.29 64.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.022 -0.536 . . . . 0.7 110.86 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -61.52 -46.0 91.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 1.41 110.147 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.24 -50.58 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 1.98 110.162 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.5 HE21 ' HA ' ' B' ' 29' ' ' LEU . 19.1 mt-30 -52.72 -41.02 63.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 1.93 111.478 176.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -51.67 68.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.75 -0.659 . . . . 1.22 110.94 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -91.65 -14.17 30.56 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.347 0.499 . . . . 3.5 112.347 -171.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -93.53 -7.42 44.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.322 . . . . 2.69 111.104 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.81 42.51 11.11 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.799 -0.715 . . . . 0.53 112.696 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.81 -74.29 0.67 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.862 -0.685 . . . . 0.53 111.674 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.437 HD22 ' N ' ' B' ' 38' ' ' LEU . 3.2 mm? -68.58 170.36 9.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.336 -0.246 . . . . 0.83 110.336 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -70.98 165.5 23.28 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.377 -0.231 . . . . 1.42 110.377 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.1 t -57.68 -53.99 51.93 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.641 0.238 . . . . 1.63 111.641 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.71 -36.26 73.98 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.296 0.57 . . . . 2.21 110.553 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.06 -48.03 69.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.272 -0.876 . . . . 0.54 110.442 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -49.25 -58.14 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.407 0.683 . . . . 1.57 111.777 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.453 ' O ' HG23 ' B' ' 48' ' ' VAL . 41.3 mt-10 -43.42 -53.52 5.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.279 -0.873 . . . . 2.36 111.897 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 13.0 t -73.84 -28.18 61.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.131 0.491 . . . . 1.04 110.603 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.75 -44.33 90.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.806 -0.633 . . . . 1.28 110.922 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.84 -36.17 81.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 1.75 110.123 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 44' ' ' GLU . 99.4 t -60.51 -44.37 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.735 -0.468 . . . . 0.49 109.735 174.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -58.57 -39.76 81.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.654 -0.703 . . . . 0.48 111.235 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.573 HG23 HG23 ' B' ' 26' ' ' ILE . 68.2 mt -54.96 -57.22 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.62 111.285 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -63.54 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 1.84 111.705 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 49' ' ' ALA . 71.7 m -69.09 -44.9 71.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.754 -0.203 . . . . 0.69 110.654 178.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 95.8 mt -62.16 -39.73 93.63 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.074 0.464 . . . . 0.76 109.941 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 0.1 OUTLIER -52.4 -56.07 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.091 -0.959 . . . . 1.66 110.774 177.066 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 22.1 m -72.18 -35.15 68.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.298 -0.41 . . . . 1.15 111.3 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.415 ' O ' ' HB1' ' A' ' 42' ' ' ALA . . . -60.65 -52.45 65.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.981 0.42 . . . . 1.14 111.646 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.48 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 79.5 m-85 -82.58 -10.04 59.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 2.06 111.424 -178.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.04 28.18 67.09 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.927 -0.654 . . . . 2.6 111.9 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.593 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 30.7 m -100.59 156.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.722 0.296 . . . . 1.35 110.652 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 24.2 p -138.14 -174.48 3.81 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.977 -0.556 . . . . 2.38 110.487 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.38 -22.65 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.969 0.414 . . . . 2.21 110.414 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.423 ' HA ' ' OD2' ' B' ' 65' ' ' ASP . 33.2 mm-40 -64.24 -39.82 94.74 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.877 0.846 . . . . 4.0 109.757 175.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.18 -11.16 60.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.113 -0.949 . . . . 3.62 110.091 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.556 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 30.9 t -87.88 -18.99 27.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.679 -0.692 . . . . 2.92 109.694 175.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' ALA . 32.8 m-20 -72.1 -34.39 68.59 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.261 -0.427 . . . . 3.46 110.323 177.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.67 26.66 0.23 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.173 -0.467 . . . . 1.87 111.088 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.472 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -47.75 130.34 14.51 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.226 -0.897 . . . . 1.54 112.926 -176.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.499 HD12 HD11 ' B' ' 72' ' ' LEU . 96.4 mt -69.85 159.02 85.71 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.98 -1.009 . . . . 1.56 110.611 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -45.17 -49.72 9.75 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.258 2.639 . . . . 2.75 113.422 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -118.94 152.82 35.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.474 . . . . 2.76 109.897 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -73.6 144.23 46.06 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.505 0.669 . . . . 1.55 109.584 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.655 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 10.1 mp -72.14 -42.4 9.4 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.129 -0.941 . . . . 1.79 112.93 -172.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.32 -31.48 67.53 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.447 1.432 . . . . 1.06 112.259 171.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -74.59 -37.56 62.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.451 -0.341 . . . . 2.27 110.267 178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.77 -50.99 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.275 0.559 . . . . 1.37 110.069 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.664 ' CD2' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -61.81 -36.26 80.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.372 -0.831 . . . . 2.37 111.975 -178.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -54.48 -35.6 63.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.177 -0.465 . . . . 2.51 109.954 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.33 -55.56 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.154 -0.475 . . . . 0.64 111.569 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.06 -57.02 4.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.782 0.66 . . . . 0.99 112.782 -172.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.58 -21.87 61.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.233 0.457 . . . . 1.55 112.233 -169.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.429 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 52.1 m -74.45 -28.77 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.699 0.259 . . . . 2.33 111.699 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -176.45 115.24 0.51 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.679 -1.248 . . . . 2.59 113.393 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.599 -0.715 . . . . 4.4 109.335 173.137 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.815 0.34 . . . . 2.4 111.386 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.457 HD22 ' HB3' ' B' ' 76' ' ' PHE . 21.4 p-10 -70.24 -21.09 63.03 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.387 -0.597 . . . . 2.52 109.387 175.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 7.4 mmmm -57.4 -57.75 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.842 -1.072 . . . . 1.9 111.275 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.47 -40.17 92.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.259 -0.428 . . . . 1.49 111.23 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 42.3 mtm180 -71.55 -23.88 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 2.34 110.878 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 11.8 tp -65.57 -43.41 89.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.717 -0.674 . . . . 0.7 110.402 174.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -61.94 -61.52 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.83 112.231 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.652 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 4.4 p90 -62.2 -35.22 78.19 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.041 0.448 . . . . 2.99 110.771 -173.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 72' ' ' LEU . . . -59.42 -47.26 86.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.594 -0.73 . . . . 1.14 110.969 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.411 HG23 HD13 ' A' ' 29' ' ' LEU . 51.6 mt -67.55 -38.86 81.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.636 -0.711 . . . . 0.97 110.157 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 22' ' ' ALA . 64.7 mt -55.03 -51.21 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.78 111.247 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -58.29 -52.88 63.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 1.58 111.489 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.42 -46.87 88.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.946 -0.57 . . . . 1.98 110.82 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.61 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.1 mp -70.67 -25.75 63.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.324 -0.398 . . . . 0.7 111.582 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -65.89 -53.52 38.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.96 0.41 . . . . 1.41 110.537 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.99 -47.54 79.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.07 -0.514 . . . . 1.98 110.287 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.512 HE21 ' HA ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -57.02 -34.37 68.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.571 -0.741 . . . . 1.92 111.175 178.349 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.1 -40.37 97.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 1.22 110.356 -177.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -78.08 -26.76 48.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.24 -0.436 . . . . 3.49 110.834 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -75.79 -32.02 59.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 2.68 110.982 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.65 41.87 4.63 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.707 -0.679 . . . . 0.53 111.869 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.408 ' HA3' ' HG2' ' A' ' 32' ' ' GLN . . . -63.91 -54.16 32.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.971 -0.633 . . . . 0.52 112.47 -178.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.17 -178.78 5.74 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.193 -0.299 . . . . 0.83 110.193 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 t -73.26 171.5 12.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.911 -0.131 . . . . 1.42 110.746 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -58.83 -52.62 64.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.905 0.335 . . . . 1.63 111.905 -174.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.1 -31.77 71.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.229 0.538 . . . . 2.2 110.454 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -67.38 -40.96 85.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.828 -0.624 . . . . 0.54 110.673 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.538 ' O ' HD21 ' A' ' 33' ' ' LEU . 38.5 mt-30 -52.23 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.843 -0.617 . . . . 1.56 111.645 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 47' ' ' GLU . 11.0 pt-20 -53.98 -31.74 51.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.771 -0.65 . . . . 2.36 111.821 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.4 m -67.53 -36.83 81.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.451 0.167 . . . . 1.04 110.913 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 63.9 mt -62.99 -41.15 99.49 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.929 -0.397 . . . . 1.28 109.929 177.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' OE1' ' HA ' ' A' ' 44' ' ' GLU . 48.5 mt-10 -57.54 -52.96 63.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 1.76 110.613 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 44' ' ' GLU . 37.1 t -57.02 -41.62 77.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.999 0.428 . . . . 0.49 110.243 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.497 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -62.69 -43.63 98.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.914 -0.585 . . . . 0.48 110.788 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 46' ' ' LEU . 52.2 mt -57.0 -50.94 74.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.026 -0.534 . . . . 0.61 111.162 179.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.96 -42.17 84.45 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.941 0.4 . . . . 1.84 110.691 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 77.1 m -66.04 -47.47 74.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.541 . . . . 0.69 111.151 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 92.3 mt -60.94 -44.17 97.64 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.814 0.34 . . . . 0.76 110.514 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 37.7 tt0 -57.49 -49.66 75.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 1.65 110.712 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.4 m -69.26 -29.69 67.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.809 -0.632 . . . . 1.16 111.014 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.39 -62.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 1.15 112.028 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 86.9 m-85 -69.94 -18.11 63.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.542 -0.299 . . . . 2.05 111.746 -175.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.16 27.19 50.23 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.735 -0.745 . . . . 2.6 111.759 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 35.4 m -100.14 151.52 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.595 0.236 . . . . 1.35 110.438 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.0 p -137.91 -171.41 3.0 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.871 -0.418 . . . . 2.38 109.871 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.2 -25.78 38.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.468 . . . . 2.21 110.001 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 65' ' ' ASP . 16.2 mt-10 -68.2 -41.32 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.741 0.782 . . . . 4.01 109.781 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -74.16 -18.25 60.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.33 -0.85 . . . . 3.62 109.279 177.628 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 30.8 t -84.77 -12.65 53.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.321 -0.854 . . . . 2.91 109.845 174.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 29.6 t70 -78.95 -29.29 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.888 -0.596 . . . . 3.46 110.076 178.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.6 pp -81.52 28.78 0.39 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.199 0.524 . . . . 1.87 110.559 173.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -53.61 138.02 35.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.295 -0.866 . . . . 1.53 112.718 -176.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.453 HD12 HD21 ' A' ' 72' ' ' LEU . 93.5 mt -67.53 155.29 91.47 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.109 -0.95 . . . . 1.55 110.585 177.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -43.54 -49.14 7.99 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.865 3.043 . . . . 2.74 113.466 -176.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -118.96 161.47 20.14 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.068 -0.345 . . . . 2.75 110.068 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 p -69.03 142.8 54.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.488 0.661 . . . . 1.55 110.723 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.472 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 3.8 mm? -79.71 -39.16 1.29 Allowed Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.307 -0.86 . . . . 1.79 112.895 -173.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 89.3 Cg_exo -54.42 -29.57 59.54 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.363 1.376 . . . . 1.07 112.159 170.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -68.92 -46.42 68.32 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.203 -0.665 . . . . 2.28 109.203 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.75 -39.5 56.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.868 -0.606 . . . . 1.38 110.252 172.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 1.2 t80 -66.52 -20.09 65.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.491 -0.777 . . . . 2.36 111.238 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 43.5 mt-10 -77.9 -36.17 49.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.043 0.449 . . . . 2.52 110.245 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.06 -58.98 2.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.694 -0.684 . . . . 0.65 112.178 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.79 -37.62 86.79 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.266 0.469 . . . . 0.99 112.266 -172.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -69.64 -21.27 63.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.319 -0.4 . . . . 1.56 111.546 -176.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.5 p -99.29 6.04 46.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.113 0.482 . . . . 2.33 110.747 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.79 79.81 1.5 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.85 -0.69 . . . . 2.59 112.008 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.405 -0.807 . . . . 4.41 109.984 178.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.379 -0.6 . . . . 3.68 109.379 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.17 114.36 4.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.888 0.375 . . . . 2.42 111.41 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.446 HD22 ' HB3' ' A' ' 76' ' ' PHE . 21.2 p-10 -70.32 -21.14 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.359 -0.608 . . . . 2.52 109.359 175.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 7.4 mmmm -57.33 -57.86 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.824 -1.08 . . . . 1.89 111.368 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.25 -40.27 93.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 1.49 111.259 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.582 ' HA ' ' CE2' ' B' ' 23' ' ' TYR . 42.6 mtm180 -71.49 -23.86 61.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 2.34 110.964 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 11.8 tp -65.55 -43.54 89.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.709 -0.678 . . . . 0.7 110.376 174.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.47 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -61.81 -61.5 2.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.83 112.217 -175.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.644 ' OH ' ' HA ' ' B' ' 67' ' ' ALA . 4.3 p90 -62.33 -35.12 78.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.042 0.449 . . . . 2.99 110.769 -173.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' B' ' 72' ' ' LEU . . . -59.47 -47.38 85.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.579 -0.737 . . . . 1.14 111.031 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.433 HG23 HD13 ' B' ' 29' ' ' LEU . 51.4 mt -67.37 -38.91 81.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.639 -0.709 . . . . 0.97 110.099 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 22' ' ' ALA . 64.4 mt -55.1 -51.07 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.78 111.287 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -58.3 -52.68 64.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.779 0.323 . . . . 1.58 111.623 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.76 -46.68 89.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.892 -0.595 . . . . 1.98 110.81 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.1 mp -70.77 -25.64 62.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.245 -0.434 . . . . 0.7 111.564 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -66.01 -53.44 38.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.984 0.421 . . . . 1.41 110.474 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.95 -47.68 79.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.555 . . . . 1.98 110.371 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.515 HE21 ' HA ' ' B' ' 29' ' ' LEU . 0.6 OUTLIER -56.96 -34.26 67.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.505 -0.77 . . . . 1.93 111.167 178.332 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.601 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -63.21 -40.32 97.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.37 -0.377 . . . . 1.22 110.428 -177.567 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -77.96 -26.95 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.26 -0.427 . . . . 3.5 110.865 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -75.77 -31.84 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.07 0.462 . . . . 2.69 110.971 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.41 42.13 4.64 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.952 -0.642 . . . . 0.53 111.769 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.405 ' HA3' ' HG2' ' B' ' 32' ' ' GLN . . . -63.91 -54.34 31.44 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.973 -0.632 . . . . 0.53 112.38 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.15 -178.66 5.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.152 -0.314 . . . . 0.83 110.152 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.0 t -73.31 171.49 12.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.828 -0.169 . . . . 1.42 110.646 -178.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.1 m -58.86 -52.6 65.04 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 111.873 0.323 . . . . 1.63 111.873 -174.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -68.0 -31.77 71.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.327 0.584 . . . . 2.21 110.504 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -67.5 -40.76 85.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 0.54 110.71 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.549 ' O ' HD21 ' B' ' 33' ' ' LEU . 38.3 mt-30 -52.32 -65.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.817 -0.629 . . . . 1.57 111.588 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' B' ' 47' ' ' GLU . 10.9 pt-20 -53.88 -31.95 51.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.768 -0.651 . . . . 2.36 111.779 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -67.21 -37.06 83.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.539 0.209 . . . . 1.04 110.862 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 63.6 mt -63.09 -41.01 99.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.854 -0.424 . . . . 1.28 109.854 177.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.421 ' OE1' ' HA ' ' B' ' 44' ' ' GLU . 47.5 mt-10 -57.37 -53.26 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 1.75 110.632 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 44' ' ' GLU . 37.2 t -56.96 -41.55 77.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.49 110.207 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -62.81 -43.5 98.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.48 110.818 176.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 46' ' ' LEU . 52.4 mt -57.02 -50.83 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.999 -0.546 . . . . 0.62 111.234 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.09 -42.07 84.81 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.862 0.363 . . . . 1.84 110.716 178.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 76.7 m -66.06 -47.5 74.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.69 111.12 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 92.4 mt -60.91 -44.1 97.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.76 110.556 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 37.9 tt0 -57.61 -49.57 75.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.744 -0.662 . . . . 1.66 110.738 177.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.4 m -69.47 -29.57 67.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.758 -0.656 . . . . 1.15 110.989 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.25 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 1.14 111.913 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.47 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 86.8 m-85 -69.79 -18.44 63.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 2.06 111.68 -175.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.57 27.08 48.79 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.758 -0.735 . . . . 2.6 111.624 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.575 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 35.5 m -100.09 151.58 5.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.591 0.234 . . . . 1.35 110.39 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 57.1 p -138.16 -171.58 3.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.835 -0.431 . . . . 2.38 109.835 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 8.2 p -62.04 -25.91 38.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.18 0.514 . . . . 2.21 110.0 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' B' ' 65' ' ' ASP . 16.2 mt-10 -68.15 -41.08 82.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.763 0.792 . . . . 4.0 109.829 176.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 0.9 OUTLIER -74.48 -18.32 60.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.376 -0.829 . . . . 3.62 109.261 177.608 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 32.7 t -84.57 -12.83 53.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.226 -0.897 . . . . 2.92 109.933 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' B' ' 62' ' ' GLU . 30.0 t70 -78.9 -29.11 44.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.952 -0.567 . . . . 3.46 110.136 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.6 pp -81.09 27.25 0.41 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.226 0.536 . . . . 1.87 110.754 173.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.644 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -52.45 138.04 28.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.248 -0.887 . . . . 1.54 112.744 -176.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.437 HD12 HD21 ' B' ' 72' ' ' LEU . 93.5 mt -67.59 155.27 91.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.09 -0.959 . . . . 1.56 110.607 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -43.49 -49.13 7.93 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.903 3.069 . . . . 2.75 113.573 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -118.91 161.94 19.34 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.062 -0.348 . . . . 2.76 110.062 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 13.9 p -69.77 145.01 52.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.539 0.685 . . . . 1.55 110.352 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 3.8 mm? -81.52 -38.92 0.95 Allowed Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.41 -0.814 . . . . 1.79 112.696 -172.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.502 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 87.7 Cg_exo -54.44 -29.67 60.19 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.289 1.326 . . . . 1.06 112.203 169.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -68.81 -46.65 68.07 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.159 -0.682 . . . . 2.27 109.159 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.66 -39.34 54.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 1.37 110.325 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 1.2 t80 -66.58 -20.16 65.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.538 -0.756 . . . . 2.37 111.295 -177.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 42.8 mt-10 -77.71 -36.83 50.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.042 0.448 . . . . 2.51 110.189 176.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.37 -59.09 2.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.702 -0.681 . . . . 0.64 112.266 -176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.89 87.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.193 0.442 . . . . 0.99 112.193 -172.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -69.3 -21.4 63.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.304 -0.407 . . . . 1.55 111.643 -176.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 23.3 p -99.38 6.16 46.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.179 0.514 . . . . 2.33 110.765 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.84 80.11 1.49 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.787 -0.721 . . . . 2.59 112.007 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.473 -0.775 . . . . 4.4 109.929 179.006 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 121.08 0.466 . . . . 2.4 110.575 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.489 ' OD1' ' HB3' ' B' ' 80' ' ' ALA . 7.6 t30 -68.26 -32.56 72.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.738 -0.665 . . . . 2.52 109.694 177.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -54.9 -54.27 44.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.727 -0.67 . . . . 1.9 111.638 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -69.91 -36.76 75.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.524 -0.307 . . . . 1.49 111.735 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.32 -30.94 63.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.158 0.504 . . . . 2.34 110.506 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' B' ' 76' ' ' PHE . 33.9 tp -61.93 -45.46 93.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.417 -0.81 . . . . 0.7 110.374 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.625 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -59.39 -63.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.325 -0.852 . . . . 0.83 112.617 -175.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 4.0 p90 -61.13 -35.28 76.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.997 0.427 . . . . 2.99 110.692 -172.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.62 94.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 1.14 110.818 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.8 mt -68.68 -39.49 80.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.97 110.09 175.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.608 HG23 HG23 ' A' ' 50' ' ' ILE . 67.7 mt -56.79 -53.2 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 0.78 111.473 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -62.86 -36.23 82.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 1.58 111.211 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.438 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 64.4 t80 -67.32 -44.46 79.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.179 -0.464 . . . . 1.98 109.9 176.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.459 ' HA ' HE21 ' A' ' 32' ' ' GLN . 7.9 mp -67.03 -28.42 68.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.7 111.068 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -67.88 -46.12 72.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.973 0.416 . . . . 1.41 110.037 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -66.63 -40.94 88.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.51 0.671 . . . . 1.98 109.852 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' A' ' 29' ' ' LEU . 8.6 tt0 -60.0 -37.06 78.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.853 -1.067 . . . . 1.92 110.468 177.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.602 HD23 ' HB2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -67.96 -46.89 70.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.812 . . . . 1.22 109.601 178.271 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -64.65 -35.15 80.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.518 -0.765 . . . . 3.49 110.927 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -81.36 -18.61 45.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.32 -0.4 . . . . 2.68 111.203 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.44 41.71 24.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.076 -0.583 . . . . 0.53 111.802 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.19 -37.8 95.04 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.317 -0.468 . . . . 0.52 113.558 -174.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 4.4 mm? -100.83 176.6 5.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.817 0.341 . . . . 0.83 111.686 -177.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -72.34 -171.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.656 -0.702 . . . . 1.42 111.14 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 40.5 t -62.94 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.848 0.314 . . . . 1.63 111.848 -174.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -66.38 -30.2 70.53 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.384 0.611 . . . . 2.2 110.071 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 38' ' ' LEU . . . -62.64 -43.33 99.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.012 -0.994 . . . . 0.54 110.934 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.48 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.7 tt0 -62.8 -44.25 96.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 1.56 110.381 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 40' ' ' SER . 6.2 mm-40 -61.99 -37.15 83.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.978 -0.555 . . . . 2.36 110.152 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.3 m -68.81 -26.51 65.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.545 -0.752 . . . . 1.04 111.591 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.602 ' HB2' HD23 ' A' ' 33' ' ' LEU . 28.9 mt -64.1 -51.1 65.63 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 120.643 -0.423 . . . . 1.28 110.152 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -58.15 -45.51 87.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.203 -0.453 . . . . 1.76 110.919 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.416 ' HB ' ' SG ' ' B' ' 52' ' ' CYS . 68.0 t -60.4 -45.23 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.49 110.531 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.69 84.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.48 111.128 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.608 HG23 HG23 ' A' ' 26' ' ' ILE . 63.6 mt -56.26 -55.73 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.61 110.589 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -65.57 -34.74 78.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.013 -0.54 . . . . 1.84 110.632 -177.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.438 ' SG ' ' HB ' ' B' ' 48' ' ' VAL . 9.4 t -70.63 -48.2 56.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.888 -0.597 . . . . 0.69 110.925 -177.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.4 mt -70.87 -32.22 69.15 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.554 0.216 . . . . 0.76 111.094 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.96 -47.24 81.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.328 -0.619 . . . . 1.65 109.328 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -69.99 -35.24 74.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.373 -0.831 . . . . 1.16 110.816 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.468 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -62.77 -52.65 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.038 -0.528 . . . . 1.15 112.085 -177.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.625 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 86.2 m-85 -82.67 -5.97 59.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.998 0.427 . . . . 2.05 111.122 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.57 26.13 74.6 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.882 -0.599 . . . . 2.6 112.011 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.3 m -95.19 162.16 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.996 0.427 . . . . 1.35 110.773 -177.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.1 p -139.42 -171.89 3.23 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.67 -0.695 . . . . 2.38 109.969 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -69.3 -20.78 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.058 0.456 . . . . 2.21 110.032 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.97 -37.3 87.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.461 0.648 . . . . 4.01 109.892 175.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.82 -16.65 62.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.448 -0.796 . . . . 3.62 109.785 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.574 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 30.6 t -89.3 -13.62 37.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.771 -0.649 . . . . 2.91 110.04 175.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' C ' ' H ' ' A' ' 67' ' ' ALA . 21.1 t70 -75.01 -34.85 61.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.091 0.472 . . . . 3.46 109.887 177.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -80.13 28.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 1.87 110.524 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.439 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -50.05 134.54 21.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.26 -0.882 . . . . 1.53 112.749 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.467 HD12 HD21 ' A' ' 72' ' ' LEU . 87.9 mt -71.43 160.47 82.47 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 114.793 -1.094 . . . . 1.55 110.014 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -42.54 -41.78 8.05 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.168 2.579 . . . . 2.74 113.462 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -134.51 160.99 36.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.504 -0.316 . . . . 2.75 110.204 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -68.33 141.51 55.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.36 0.6 . . . . 1.55 110.413 176.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.637 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 66.2 mt -72.95 -42.44 7.41 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.218 -0.901 . . . . 1.79 113.391 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.518 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 71.7 Cg_exo -53.1 -31.76 55.94 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.46 1.44 . . . . 1.07 112.07 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -62.8 -50.23 71.82 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.024 -0.535 . . . . 2.28 109.646 175.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.402 HD12 HD23 ' A' ' 72' ' ' LEU . 55.3 mt -53.27 -44.98 55.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 115.327 -0.851 . . . . 1.38 110.327 173.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.64 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 0.0 OUTLIER -67.26 -35.4 79.45 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.571 -0.741 . . . . 2.36 111.31 -174.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 34.0 mt-10 -63.61 -25.69 68.34 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.515 -0.474 . . . . 2.52 110.451 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.459 ' O ' ' HA3' ' A' ' 82' ' ' GLY . . . -87.65 -27.11 22.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.38 -0.373 . . . . 0.65 111.417 176.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.19 -61.15 1.63 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.925 0.393 . . . . 0.99 111.798 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.522 ' HB3' ' OD1' ' B' ' 17' ' ' ASN . . . -59.42 -63.36 1.33 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.549 -0.75 . . . . 1.56 112.081 -171.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 t -89.25 -1.1 57.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.007 0.432 . . . . 2.33 110.541 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 78' ' ' ALA . . . -76.91 -31.37 53.65 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.75 -0.738 . . . . 2.59 111.676 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.417 -0.801 . . . . 4.41 109.862 178.161 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 71.3 mtm . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.108 0.48 . . . . 3.68 110.558 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -78.08 101.66 7.08 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.734 -0.666 . . . . 2.42 110.494 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.522 ' OD1' ' HB3' ' A' ' 80' ' ' ALA . 7.5 t30 -68.42 -32.55 72.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.702 -0.681 . . . . 2.52 109.66 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -55.14 -54.18 46.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.772 -0.649 . . . . 1.89 111.521 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -69.98 -36.69 75.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.62 -0.264 . . . . 1.49 111.639 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -73.35 -30.94 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.142 0.496 . . . . 2.34 110.481 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.493 HD13 ' CD2' ' A' ' 76' ' ' PHE . 34.2 tp -61.82 -45.58 93.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.47 -0.786 . . . . 0.7 110.435 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.629 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -59.32 -63.57 1.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.267 -0.879 . . . . 0.83 112.554 -175.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' B' ' 64' ' ' SER . 4.1 p90 -61.05 -35.36 76.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.015 0.436 . . . . 2.99 110.685 -172.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.61 94.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.718 -0.673 . . . . 1.14 110.784 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 29.2 mt -68.61 -39.56 80.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.128 -0.487 . . . . 0.97 110.094 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.609 HG23 HG23 ' B' ' 50' ' ' ILE . 67.3 mt -56.9 -53.13 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.366 -0.379 . . . . 0.78 111.478 177.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -62.83 -36.27 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 1.58 111.219 -178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.44 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 64.5 t80 -67.31 -44.46 79.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.18 -0.463 . . . . 1.98 109.911 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.451 ' HA ' HE21 ' B' ' 32' ' ' GLN . 8.0 mp -67.06 -28.21 68.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.7 111.141 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -68.12 -45.94 72.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.014 0.435 . . . . 1.41 110.025 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -66.68 -40.99 88.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.518 0.675 . . . . 1.98 109.794 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.451 HE21 ' HA ' ' B' ' 29' ' ' LEU . 8.6 tt0 -60.07 -36.9 78.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.899 -1.046 . . . . 1.93 110.465 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -68.02 -46.84 70.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.468 -0.787 . . . . 1.22 109.612 178.327 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -64.68 -35.36 80.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.493 -0.776 . . . . 3.5 110.798 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -81.24 -18.83 44.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.922 0.392 . . . . 2.69 111.127 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.61 41.8 23.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.055 -0.593 . . . . 0.53 111.929 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.28 -37.74 94.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.364 -0.446 . . . . 0.53 113.48 -174.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' B' ' 42' ' ' ALA . 4.4 mm? -101.16 176.46 5.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.951 0.405 . . . . 0.83 111.722 -177.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -72.16 -171.74 0.79 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.728 -0.669 . . . . 1.42 111.095 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' B' ' 44' ' ' GLU . 45.3 t -63.57 -65.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.955 0.354 . . . . 1.63 111.955 -174.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -67.34 -30.25 70.03 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.491 0.662 . . . . 2.21 109.984 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -62.26 -43.52 98.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.908 -1.042 . . . . 0.54 110.931 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.47 ' O ' HD21 ' B' ' 33' ' ' LEU . 8.7 tt0 -62.69 -44.57 95.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 1.57 110.32 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 40' ' ' SER . 6.2 mm-40 -61.86 -37.07 83.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.986 -0.552 . . . . 2.36 110.129 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.2 m -68.66 -26.83 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.519 -0.764 . . . . 1.04 111.557 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.601 ' HB2' HD23 ' B' ' 33' ' ' LEU . 28.9 mt -64.0 -51.01 66.26 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.652 -0.419 . . . . 1.28 110.163 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -58.26 -45.43 87.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.293 -0.412 . . . . 1.75 110.91 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.438 ' HB ' ' SG ' ' A' ' 52' ' ' CYS . 67.1 t -60.4 -45.29 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.49 110.576 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.75 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.004 -0.544 . . . . 0.48 111.127 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.609 HG23 HG23 ' B' ' 26' ' ' ILE . 62.8 mt -56.26 -55.75 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.62 110.483 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -65.56 -34.67 78.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.127 0.489 . . . . 1.84 110.622 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.416 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 9.4 t -70.7 -48.21 55.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 0.69 110.885 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -70.9 -32.2 69.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.51 0.195 . . . . 0.76 111.104 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.11 -47.01 82.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.231 -0.655 . . . . 1.66 109.231 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 29.3 m -70.11 -35.34 74.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.35 -0.841 . . . . 1.15 110.809 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.8 61.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.14 111.985 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.629 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 86.5 m-85 -82.58 -6.0 59.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.839 0.352 . . . . 2.06 111.191 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.8 25.81 75.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.171 -0.538 . . . . 2.6 112.024 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -95.11 162.14 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.984 0.421 . . . . 1.35 110.865 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 22.5 p -139.49 -171.93 3.25 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.698 -0.683 . . . . 2.38 109.937 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.44 -20.82 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.052 0.453 . . . . 2.21 109.926 175.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.8 -37.28 87.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.454 0.645 . . . . 4.0 109.945 174.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.02 -16.95 62.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 3.62 109.801 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.576 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 29.6 t -88.6 -13.98 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.79 -0.641 . . . . 2.92 110.135 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' B' ' 67' ' ' ALA . 21.3 t70 -74.98 -34.45 62.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.126 0.489 . . . . 3.46 110.012 177.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.99 27.11 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.63 -0.714 . . . . 1.87 110.68 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.437 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -49.21 134.48 17.99 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.162 -0.926 . . . . 1.54 112.72 -175.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.455 HD12 HD21 ' B' ' 72' ' ' LEU . 88.8 mt -71.45 160.49 82.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 114.785 -1.098 . . . . 1.56 109.928 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -42.68 -41.61 8.34 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.173 2.582 . . . . 2.75 113.556 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -134.44 161.56 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.106 -0.331 . . . . 2.76 110.106 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.3 p -69.24 144.33 53.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.345 0.593 . . . . 1.55 110.064 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.64 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 64.7 mt -75.11 -42.23 4.25 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.238 -0.892 . . . . 1.79 113.164 -171.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.504 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 72.0 Cg_exo -53.21 -31.76 57.06 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 121.455 1.437 . . . . 1.06 112.106 173.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -62.77 -50.19 72.01 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.253 0.549 . . . . 2.27 109.689 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.405 HD12 HD23 ' B' ' 72' ' ' LEU . 56.3 mt -53.25 -44.85 54.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 115.323 -0.853 . . . . 1.37 110.519 172.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.637 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.39 -35.44 79.31 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.532 -0.758 . . . . 2.37 111.292 -174.448 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 33.7 mt-10 -63.7 -25.79 68.36 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.471 -0.492 . . . . 2.51 110.509 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.471 ' O ' ' HA3' ' B' ' 82' ' ' GLY . . . -87.19 -28.12 22.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.343 -0.39 . . . . 0.64 111.418 176.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.89 -61.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.062 0.458 . . . . 0.99 112.131 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 17' ' ' ASN . . . -59.81 -63.03 1.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.465 -0.789 . . . . 1.55 112.133 -170.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 7.2 t -89.54 -0.99 57.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 2.33 110.431 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' B' ' 78' ' ' ALA . . . -76.73 -31.44 53.78 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.766 -0.73 . . . . 2.59 111.68 178.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.276 -0.868 . . . . 4.4 109.887 178.355 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 . . . . . 0 CA--C 1.516 -0.327 0 CA-C-O 120.855 0.359 . . . . 2.4 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -66.31 -21.68 66.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.85 -0.614 . . . . 2.52 110.177 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -58.2 -48.06 81.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.793 -0.64 . . . . 1.9 110.841 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -69.16 -41.35 77.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.299 0.571 . . . . 1.49 110.043 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.747 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 98.5 mtt180 -67.61 -31.32 71.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.317 -0.856 . . . . 2.34 110.83 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -67.92 -40.43 83.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.815 -0.63 . . . . 0.7 110.266 172.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.12 -34.62 72.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.019 -0.537 . . . . 0.83 111.114 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.747 ' CD2' ' HA ' ' A' ' 20' ' ' ARG . 6.4 m-85 -61.26 -46.57 89.82 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.396 -0.594 . . . . 2.99 109.396 176.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . . . -53.02 -36.32 60.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.754 -0.657 . . . . 1.14 111.21 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.66 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 44.0 mt -84.04 -51.77 13.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.007 -0.997 . . . . 0.97 110.025 -174.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.459 HG23 HG23 ' A' ' 50' ' ' ILE . 74.6 mt -63.13 -54.14 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.101 -0.5 . . . . 0.78 111.066 179.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 23' ' ' TYR . 22.4 mm-40 -62.14 -56.87 14.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.039 0.755 . . . . 1.58 113.039 -173.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -76.45 -46.82 25.25 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.879 -0.328 . . . . 1.98 111.856 -170.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.66 ' HB2' ' O ' ' A' ' 25' ' ' ILE . 10.5 mp -57.87 -32.52 67.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.982 -0.287 . . . . 0.7 110.907 176.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -58.31 -58.1 9.98 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.105 0.478 . . . . 1.41 110.897 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.45 -26.32 64.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.881 -0.6 . . . . 1.98 110.704 -178.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' A' ' 29' ' ' LEU . 8.2 tt0 -59.23 -40.2 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.879 -0.6 . . . . 1.92 110.137 173.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.612 HD21 HD12 ' A' ' 46' ' ' LEU . 60.8 mt -65.74 -40.1 91.78 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.851 -0.613 . . . . 1.22 109.992 176.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -67.04 -26.04 66.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.769 -0.65 . . . . 3.49 110.326 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -86.26 -11.54 52.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.09 0.471 . . . . 2.68 110.924 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.57 39.16 50.32 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.868 -0.606 . . . . 0.53 112.336 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.97 -52.44 44.96 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.067 -0.587 . . . . 0.52 112.978 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 3.6 mm? -92.31 176.56 6.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.624 0.25 . . . . 0.83 110.451 -178.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -72.25 158.55 35.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.174 -0.676 . . . . 1.42 109.174 173.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -52.09 -49.55 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.694 0.257 . . . . 1.63 111.694 -173.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.69 -42.45 83.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.107 0.479 . . . . 2.2 110.975 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 38' ' ' LEU . . . -73.3 -32.93 64.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.868 -0.605 . . . . 0.54 110.963 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.483 ' HA ' HD22 ' A' ' 33' ' ' LEU . 39.4 mt-30 -61.21 -66.28 0.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 1.56 111.451 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -51.08 -31.99 20.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.722 -0.672 . . . . 2.36 111.222 176.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -64.15 -40.24 95.72 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.368 -0.378 . . . . 1.04 110.932 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.612 HD12 HD21 ' A' ' 33' ' ' LEU . 23.0 mt -62.93 -41.51 99.5 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.661 0.267 . . . . 1.28 110.385 176.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.69 -40.88 93.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.079 -0.51 . . . . 1.76 110.847 -177.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.4 t -63.13 -43.64 99.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.194 0.521 . . . . 0.49 110.255 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' B' ' 52' ' ' CYS . . . -61.58 -43.47 98.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.592 -0.731 . . . . 0.48 110.981 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.459 HG23 HG23 ' A' ' 26' ' ' ILE . 70.7 mt -57.24 -46.6 84.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.645 . . . . 0.61 111.425 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -60.84 -39.57 89.56 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.278 0.561 . . . . 1.84 110.657 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' B' ' 49' ' ' ALA . 67.6 m -70.5 -40.64 73.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.663 -0.699 . . . . 0.69 110.741 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 86.8 mt -64.44 -40.45 95.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.455 -0.339 . . . . 0.76 110.557 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 35.6 tt0 -58.24 -50.1 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 1.65 110.382 176.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -65.72 -30.66 71.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.635 -0.711 . . . . 1.16 111.065 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.71 -60.18 2.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.54 . . . . 1.15 111.876 -177.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -69.25 -17.84 63.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 2.05 111.232 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.73 15.31 81.44 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.944 -0.646 . . . . 2.6 111.912 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.604 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 30.0 m -97.97 142.42 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.026 0.441 . . . . 1.35 110.76 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.0 p -122.09 -170.55 2.08 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.697 -0.683 . . . . 2.38 110.421 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.89 -29.82 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.793 0.33 . . . . 2.21 110.579 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.51 -45.02 73.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.344 0.593 . . . . 4.01 110.496 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.677 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.8 m-20 -65.27 -42.43 93.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.788 -0.642 . . . . 3.62 109.341 176.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.6 m -69.3 -11.27 60.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.617 -0.719 . . . . 2.91 110.804 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.26 -36.33 40.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.266 -0.425 . . . . 3.46 110.656 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.8 pp -69.04 -47.11 66.2 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.964 -0.754 . . . . 1.87 108.964 175.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . . . 45.71 -164.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.947 1.091 . . . . 1.53 113.947 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.496 HD13 ' O ' ' B' ' 80' ' ' ALA . 94.0 mt -123.15 127.5 25.63 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 114.272 -1.331 . . . . 1.55 109.125 172.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -52.47 -42.22 62.67 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 124.279 3.319 . . . . 2.74 113.809 -173.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.633 ' CG ' HD11 ' A' ' 75' ' ' ILE . 5.1 pm0 -87.16 139.59 30.41 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.956 -0.757 . . . . 2.75 108.956 176.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.2 p -67.69 135.86 53.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.495 0.664 . . . . 1.55 110.823 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 68' ' ' LEU . 2.5 mm? -80.19 -48.02 1.32 Allowed Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.204 -0.907 . . . . 1.79 112.87 -170.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.02 -32.1 46.97 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.424 1.416 . . . . 1.07 111.925 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.98 -44.59 65.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.928 -0.578 . . . . 2.28 110.557 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.633 HD11 ' CG ' ' A' ' 70' ' ' GLN . 44.6 mt -61.18 -42.2 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-O 121.184 0.516 . . . . 1.38 109.7 173.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.542 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 14.5 m-30 -67.95 -17.28 64.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.542 -0.754 . . . . 2.36 110.154 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -74.76 -41.38 60.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 2.52 109.647 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.36 -61.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.829 -0.623 . . . . 0.65 112.095 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.72 -42.04 35.71 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.823 0.675 . . . . 0.99 112.823 -169.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -61.62 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.753 0.279 . . . . 1.56 111.753 -173.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.1 t -89.04 15.74 8.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.211 0.529 . . . . 2.33 110.627 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.87 -163.06 9.62 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.711 -0.677 . . . . 2.59 111.489 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.576 -0.726 . . . . 4.41 109.958 -179.744 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.939 0.399 . . . . 3.68 110.306 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -118.97 126.04 50.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 2.42 110.944 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -66.34 -21.58 66.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.832 -0.622 . . . . 2.52 110.167 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -58.36 -48.07 81.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.789 -0.641 . . . . 1.89 110.792 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -69.14 -41.34 77.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.332 0.587 . . . . 1.49 110.072 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.763 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . 98.7 mtt180 -67.64 -31.33 71.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.311 -0.859 . . . . 2.34 110.771 -175.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 14.9 tp -67.73 -40.62 84.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.625 . . . . 0.7 110.221 172.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.58 72.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.016 -0.538 . . . . 0.83 111.051 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.763 ' CD2' ' HA ' ' B' ' 20' ' ' ARG . 6.5 m-85 -61.23 -46.67 89.43 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 109.369 -0.604 . . . . 2.99 109.369 176.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.04 -36.21 60.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.673 -0.694 . . . . 1.14 111.264 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.679 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 43.9 mt -84.1 -51.76 13.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.979 -1.01 . . . . 0.97 110.017 -174.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.459 HG23 HG23 ' B' ' 50' ' ' ILE . 74.6 mt -63.14 -54.16 36.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.106 -0.497 . . . . 0.78 111.059 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' B' ' 23' ' ' TYR . 22.2 mm-40 -62.1 -56.78 15.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.05 0.759 . . . . 1.58 113.05 -173.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.57 -46.9 24.35 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.823 -0.351 . . . . 1.98 111.711 -170.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.679 ' HB2' ' O ' ' B' ' 25' ' ' ILE . 10.5 mp -57.7 -32.65 67.59 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.044 -0.262 . . . . 0.7 110.868 176.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -58.21 -58.17 9.65 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.145 0.497 . . . . 1.41 110.877 174.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -26.25 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.887 -0.597 . . . . 1.98 110.743 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' B' ' 29' ' ' LEU . 8.3 tt0 -59.27 -40.25 85.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.848 -0.615 . . . . 1.93 110.129 173.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.607 HD21 HD12 ' B' ' 46' ' ' LEU . 61.3 mt -65.72 -40.21 91.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 1.22 110.047 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -66.87 -26.13 66.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.614 -0.721 . . . . 3.5 110.324 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -86.23 -11.58 52.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 2.69 110.944 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.63 39.39 49.18 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.944 -0.571 . . . . 0.53 112.206 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.28 -52.24 45.69 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 121.152 -0.547 . . . . 0.53 113.049 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' B' ' 42' ' ' ALA . 3.6 mm? -92.34 176.75 6.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.818 -0.225 . . . . 0.83 110.498 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.0 t -72.51 158.53 35.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.141 -0.689 . . . . 1.42 109.141 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -52.16 -49.52 63.6 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.681 0.252 . . . . 1.63 111.681 -173.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.55 -42.51 83.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.156 0.503 . . . . 2.21 111.086 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' HB3' ' B' ' 38' ' ' LEU . . . -73.25 -33.16 65.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.803 -0.635 . . . . 0.54 110.924 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.483 ' HA ' HD22 ' B' ' 33' ' ' LEU . 39.5 mt-30 -61.15 -66.33 0.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.97 -0.559 . . . . 1.57 111.396 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -51.09 -31.79 20.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.697 -0.683 . . . . 2.36 111.321 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -64.22 -40.49 96.15 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.412 -0.358 . . . . 1.04 110.795 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.607 HD12 HD21 ' B' ' 33' ' ' LEU . 22.9 mt -62.71 -41.54 99.2 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.613 0.245 . . . . 1.28 110.458 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.68 -40.73 93.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.057 -0.52 . . . . 1.75 110.762 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.33 -43.56 98.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.122 0.487 . . . . 0.49 110.166 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.418 ' HB2' ' HB2' ' A' ' 52' ' ' CYS . . . -61.66 -43.43 98.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.541 -0.754 . . . . 0.48 110.933 178.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.459 HG23 HG23 ' B' ' 26' ' ' ILE . 70.3 mt -57.43 -46.44 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.879 -0.601 . . . . 0.62 111.43 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -61.01 -39.39 89.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.18 0.514 . . . . 1.84 110.59 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 67.9 m -70.67 -40.6 72.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.735 -0.666 . . . . 0.69 110.758 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 86.8 mt -64.38 -40.35 95.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.528 -0.305 . . . . 0.76 110.598 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 35.0 tt0 -58.39 -50.11 74.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 1.66 110.325 176.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -65.4 -30.89 71.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.654 -0.703 . . . . 1.15 111.075 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.78 -59.91 2.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.961 -0.563 . . . . 1.14 111.868 -176.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -69.67 -17.63 63.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 2.06 111.187 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.82 15.34 81.36 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.865 -0.683 . . . . 2.6 111.879 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.614 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 30.1 m -98.09 142.51 14.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.103 0.478 . . . . 1.35 110.747 -178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.2 p -122.39 -171.35 2.25 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.636 -0.711 . . . . 2.38 110.37 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.14 -29.91 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.742 0.306 . . . . 2.21 110.622 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -68.47 -45.11 73.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.329 0.585 . . . . 4.0 110.518 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.68 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 6.9 m-20 -65.14 -42.52 93.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.755 -0.657 . . . . 3.62 109.487 176.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 29.5 m -68.75 -12.33 61.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.535 -0.757 . . . . 2.92 110.861 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.56 -36.22 44.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 3.46 110.571 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.8 pp -70.27 -44.44 68.43 Favored 'General case' 0 C--O 1.231 0.085 0 C-N-CA 119.827 -0.749 . . . . 1.87 109.201 175.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.498 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . . . 43.91 -164.06 0.01 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 114.057 1.132 . . . . 1.54 114.057 171.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 80' ' ' ALA . 94.0 mt -123.11 127.53 25.63 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 114.064 -1.425 . . . . 1.56 109.085 172.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -52.63 -42.0 65.13 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 124.187 3.258 . . . . 2.75 113.99 -173.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . 0.636 ' CG ' HD11 ' B' ' 75' ' ' ILE . 5.1 pm0 -87.31 140.15 29.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.886 -0.783 . . . . 2.76 108.886 176.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 20.5 p -69.3 141.11 54.4 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.918 -0.713 . . . . 1.55 109.882 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' B' ' 68' ' ' LEU . 2.5 mm? -83.22 -48.42 0.77 Allowed Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.106 -0.952 . . . . 1.79 112.753 -170.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' B' ' 72' ' ' LEU . 51.6 Cg_exo -51.92 -32.3 46.93 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.457 1.438 . . . . 1.06 111.715 174.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -70.92 -44.51 66.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.875 -0.602 . . . . 2.27 110.619 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.636 HD11 ' CG ' ' B' ' 70' ' ' GLN . 44.8 mt -61.16 -42.22 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-O 121.272 0.558 . . . . 1.37 109.695 173.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.556 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 14.6 m-30 -67.83 -17.67 64.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.577 -0.738 . . . . 2.37 110.108 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -74.35 -42.43 59.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.635 -0.711 . . . . 2.51 109.49 175.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.03 -61.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.875 -0.602 . . . . 0.64 112.349 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.89 -41.95 34.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.842 0.682 . . . . 0.99 112.842 -169.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -61.69 -46.18 90.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.719 0.266 . . . . 1.55 111.719 -173.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 t -89.03 16.01 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.24 0.543 . . . . 2.33 110.581 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -137.04 -163.02 9.58 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.475 -0.65 . . . . 2.59 111.475 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.646 -0.692 . . . . 4.4 110.045 -179.674 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 121.107 0.48 . . . . 2.4 110.031 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 2.8 p-10 -87.28 -15.36 38.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.07 0.396 . . . . 2.52 112.07 -175.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 12.3 mptt -77.88 -32.46 51.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.929 0.395 . . . . 1.9 110.644 -175.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.584 ' HE3' ' O ' ' A' ' 58' ' ' GLY . 20.2 ptmt -70.41 -45.81 65.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.551 -0.295 . . . . 1.49 110.716 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.42 ' O ' ' HD2' ' A' ' 23' ' ' TYR . 27.1 mtm180 -67.3 -23.17 65.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.589 0.709 . . . . 2.34 109.442 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 5.5 tp -62.11 -60.98 2.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.941 -1.027 . . . . 0.7 110.344 171.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.516 ' HB3' HG11 ' A' ' 59' ' ' VAL . . . -69.54 -35.09 75.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.033 0.383 . . . . 0.83 112.033 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' HA ' ' HG1' ' A' ' 60' ' ' THR . 0.0 OUTLIER -54.82 -44.61 74.03 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.228 0.537 . . . . 2.99 110.261 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . . . -72.36 -36.03 68.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.75 -0.659 . . . . 1.14 110.891 -176.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.55 -42.77 93.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.719 -0.673 . . . . 0.97 110.427 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.609 HD11 ' CD1' ' A' ' 53' ' ' LEU . 74.3 mt -59.22 -40.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.049 -0.523 . . . . 0.78 111.009 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -60.39 -43.58 96.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.373 -0.376 . . . . 1.58 111.029 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -72.49 -46.14 56.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 1.98 111.132 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.702 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.8 mp -60.37 -45.59 92.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.555 -0.293 . . . . 0.7 110.687 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -56.46 -38.28 71.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 1.41 110.34 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.68 -48.42 59.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.721 -0.672 . . . . 1.98 110.745 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 2.5 pt20 -65.45 -33.45 75.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.92 110.5 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 45.4 mt -62.57 -47.34 84.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.718 0.294 . . . . 1.22 110.401 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.3 mmt-85 -68.79 -27.32 65.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.377 -0.374 . . . . 3.49 110.89 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -87.33 3.68 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.398 -0.365 . . . . 2.68 111.426 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.498 ' HA2' ' NE2' ' A' ' 43' ' ' GLN . . . 68.27 34.74 81.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.172 -0.537 . . . . 0.53 113.114 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.49 -53.43 35.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.046 -0.597 . . . . 0.52 111.975 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.74 151.94 20.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.579 -0.526 . . . . 0.83 109.579 176.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 t -65.51 157.38 29.78 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 123.348 0.405 . . . . 1.42 110.03 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 p -43.62 -49.13 7.72 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.92 1.082 . . . . 1.63 113.92 -170.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.67 -52.91 62.38 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.951 0.405 . . . . 2.2 110.925 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.86 79.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.779 -0.646 . . . . 0.54 110.793 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.498 ' NE2' ' HA2' ' A' ' 36' ' ' GLY . 14.9 tt0 -59.29 -58.45 8.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.177 -0.92 . . . . 1.56 110.562 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.583 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.0 mt-10 -65.3 -33.91 77.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.979 -0.555 . . . . 2.36 110.659 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.9 t -64.68 -38.97 92.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.876 -0.602 . . . . 1.04 111.138 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.598 HD12 HD21 ' A' ' 33' ' ' LEU . 17.9 mt -61.6 -41.1 96.97 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.905 -0.318 . . . . 1.28 110.284 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 71.2 tt0 -67.41 -38.29 84.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 1.76 110.523 -178.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 44' ' ' GLU . 58.0 t -56.11 -51.31 63.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.337 0.589 . . . . 0.49 109.424 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.603 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -57.51 -49.01 77.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.952 -1.022 . . . . 0.48 110.975 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 29' ' ' LEU . 44.7 mt -53.64 -49.79 54.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.338 -0.847 . . . . 0.61 111.495 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 30.1 mm-40 -58.55 -43.83 89.42 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.226 0.536 . . . . 1.84 110.651 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.6 m -65.34 -52.93 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.479 -0.782 . . . . 0.69 111.02 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.609 ' CD1' HD11 ' A' ' 26' ' ' ILE . 2.9 pp -78.96 -20.44 49.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.757 0.651 . . . . 0.76 112.757 -173.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.576 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 27.1 tt0 -67.83 -38.06 82.74 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.388 -0.597 . . . . 1.65 109.388 177.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -73.98 -26.36 60.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.285 -0.871 . . . . 1.16 110.904 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' B' ' 45' ' ' SER . . . -88.05 -44.48 10.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.043 0.757 . . . . 1.15 113.043 -173.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -77.61 -17.52 57.71 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.354 -0.839 . . . . 2.05 112.585 -164.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.584 ' O ' ' HE3' ' A' ' 19' ' ' LYS . . . 77.87 54.44 4.52 Favored Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 109.794 -1.322 . . . . 2.6 109.794 -170.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.576 ' CG2' ' HA ' ' A' ' 54' ' ' GLU . 29.3 m -137.51 -144.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.348 -0.426 . . . . 1.35 112.141 -166.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.594 ' HG1' ' HA ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -41.54 -167.24 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 118.465 2.765 . . . . 2.38 118.465 -159.661 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.534 ' HA ' ' HB3' ' A' ' 64' ' ' SER . 7.9 p 9.61 -38.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 116.733 2.123 . . . . 2.21 116.733 -134.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.0 mm-40 -72.79 -59.33 2.76 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 122.674 1.226 . . . . 4.01 109.102 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.546 ' HB2' ' C ' ' A' ' 59' ' ' VAL . 6.3 m-20 -77.98 6.46 7.75 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.229 -0.896 . . . . 3.62 110.13 177.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.534 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 9.5 t -86.84 -22.87 25.54 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.622 -0.881 . . . . 2.91 108.622 167.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 23.0 t70 -62.87 -36.77 84.38 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.375 -0.602 . . . . 3.46 109.375 171.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.53 HD21 ' OD2' ' A' ' 63' ' ' ASP . 3.9 pp -85.46 30.72 0.61 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 120.346 -0.542 . . . . 1.87 111.627 174.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -48.23 153.43 0.71 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.315 1.228 . . . . 1.53 114.315 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.96 163.51 18.62 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 114.629 -1.169 . . . . 1.55 110.128 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -53.46 -51.77 10.15 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.938 2.425 . . . . 2.74 113.771 -176.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -120.14 168.45 11.2 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.187 -0.301 . . . . 2.75 110.187 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.7 p -77.93 139.97 39.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.295 0.569 . . . . 1.55 110.228 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.673 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 4.1 mm? -68.83 -44.75 31.45 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.394 -0.821 . . . . 1.79 111.43 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.614 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 68.0 Cg_exo -47.11 -34.61 17.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.167 1.911 . . . . 1.07 113.431 173.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.42 -48.05 74.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.086 0.47 . . . . 2.28 109.944 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.506 HD12 HD13 ' A' ' 72' ' ' LEU . 81.2 mt -58.27 -38.25 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.464 0.649 . . . . 1.38 109.768 174.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.673 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 14.6 m-30 -69.33 -27.53 65.45 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.41 -0.813 . . . . 2.36 110.58 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 50.8 mt-10 -65.6 -26.56 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 2.52 110.04 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.85 -48.39 8.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.961 -0.563 . . . . 0.65 111.226 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.23 39.66 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.659 0.614 . . . . 0.99 112.659 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.0 -11.25 60.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.928 0.344 . . . . 1.56 111.928 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.441 ' HA ' ' SD ' ' B' ' 15' ' ' MET . 18.5 p -90.8 -12.72 35.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.195 0.521 . . . . 2.33 110.363 174.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.71 154.74 21.04 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.854 -0.612 . . . . 2.59 111.694 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.229 -0.891 . . . . 4.41 110.202 -178.321 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.441 ' SD ' ' HA ' ' A' ' 81' ' ' THR . 51.7 ttm . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.708 0.29 . . . . 3.68 110.446 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -78.53 84.79 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.152 0.501 . . . . 2.42 110.147 177.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 2.9 p-10 -86.01 -15.95 39.8 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.262 0.467 . . . . 2.52 112.262 -175.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 12.3 mptt -77.69 -32.59 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 1.89 110.684 -175.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.615 ' HE3' ' O ' ' B' ' 58' ' ' GLY . 20.3 ptmt -70.18 -45.82 65.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.494 -0.321 . . . . 1.49 110.8 177.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.412 ' O ' ' HD2' ' B' ' 23' ' ' TYR . 27.1 mtm180 -67.4 -23.17 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.516 0.675 . . . . 2.34 109.415 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.536 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 5.5 tp -62.05 -60.96 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.912 -1.04 . . . . 0.7 110.487 171.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.539 ' HB3' HG11 ' B' ' 59' ' ' VAL . . . -69.62 -34.95 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.403 . . . . 0.83 112.008 -175.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.674 ' HA ' ' HG1' ' B' ' 60' ' ' THR . 0.0 OUTLIER -54.88 -44.61 74.23 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.169 0.509 . . . . 2.99 110.272 179.391 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' B' ' 72' ' ' LEU . . . -72.29 -36.21 68.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.749 -0.66 . . . . 1.14 110.914 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.58 -42.75 93.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.695 -0.684 . . . . 0.97 110.363 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.612 HD11 ' CD1' ' B' ' 53' ' ' LEU . 74.8 mt -59.15 -40.84 81.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.116 -0.493 . . . . 0.78 110.983 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -60.43 -43.38 96.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 1.58 111.098 177.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -72.53 -46.14 55.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.253 -0.43 . . . . 1.98 111.158 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.696 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 8.8 mp -60.42 -45.55 93.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.578 -0.283 . . . . 0.7 110.636 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -56.51 -38.27 71.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.984 0.421 . . . . 1.41 110.293 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.77 -48.4 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 1.98 110.713 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' B' ' 29' ' ' LEU . 2.6 pt20 -65.57 -33.23 75.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 1.93 110.484 -178.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 29' ' ' LEU . 44.8 mt -62.82 -47.11 84.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.514 -0.312 . . . . 1.22 110.369 178.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -68.76 -27.41 65.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 3.5 110.864 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -87.38 3.52 46.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 2.69 111.373 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . 0.493 ' HA2' ' NE2' ' B' ' 43' ' ' GLN . . . 68.54 34.66 79.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.232 -0.509 . . . . 0.53 113.065 176.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.6 -53.42 35.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.07 -0.586 . . . . 0.53 111.941 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.82 151.84 20.4 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.497 -0.557 . . . . 0.83 109.497 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.7 t -65.51 157.37 29.79 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.414 0.446 . . . . 1.42 109.892 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 6.2 p -43.5 -49.23 7.38 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.925 1.083 . . . . 1.63 113.925 -170.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -61.63 -53.02 61.82 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.026 0.441 . . . . 2.21 110.929 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.75 78.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.715 -0.675 . . . . 0.54 110.775 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.493 ' NE2' ' HA2' ' B' ' 36' ' ' GLY . 15.0 tt0 -59.54 -58.12 9.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.156 -0.929 . . . . 1.57 110.64 -177.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 48' ' ' VAL . 41.0 mt-10 -65.51 -34.03 77.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.992 -0.549 . . . . 2.36 110.586 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 56' ' ' ALA . 11.1 t -64.62 -38.81 92.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.891 -0.595 . . . . 1.04 111.164 -177.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.613 HD12 HD21 ' B' ' 33' ' ' LEU . 17.9 mt -61.75 -41.07 97.19 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.874 -0.33 . . . . 1.28 110.261 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 70.8 tt0 -67.38 -38.34 84.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.259 -0.428 . . . . 1.75 110.564 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 44' ' ' GLU . 58.7 t -55.99 -51.34 62.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.415 -0.587 . . . . 0.49 109.415 173.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.615 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -57.51 -49.2 77.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.99 -1.005 . . . . 0.48 110.955 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.45 HD11 ' HB3' ' B' ' 29' ' ' LEU . 45.2 mt -53.39 -49.91 51.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.333 -0.849 . . . . 0.62 111.514 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 30.5 mm-40 -58.5 -43.89 89.22 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.15 0.5 . . . . 1.84 110.647 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 58.5 m -65.19 -52.99 51.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.518 -0.765 . . . . 0.69 111.117 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 2.9 pp -78.88 -20.55 49.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 112.732 0.641 . . . . 0.76 112.732 -173.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.595 ' HA ' ' CG2' ' B' ' 59' ' ' VAL . 27.3 tt0 -67.85 -37.85 82.38 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.399 -0.593 . . . . 1.66 109.399 177.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -74.34 -26.03 59.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.323 -0.853 . . . . 1.15 110.894 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' B' ' 53' ' ' LEU . . . -88.16 -44.64 10.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.935 0.717 . . . . 1.14 112.935 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' B' ' 53' ' ' LEU . 0.2 OUTLIER -77.63 -18.1 57.1 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.344 -0.844 . . . . 2.06 112.732 -164.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . 0.615 ' O ' ' HE3' ' B' ' 19' ' ' LYS . . . 77.74 56.04 3.98 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 110.266 -1.133 . . . . 2.6 110.266 -171.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.595 ' CG2' ' HA ' ' B' ' 54' ' ' GLU . 35.6 m -139.51 -150.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 C-N-CA 124.855 1.262 . . . . 1.35 110.613 -161.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . 0.674 ' HG1' ' HA ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -50.59 -160.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 128.641 2.777 . . . . 2.38 114.775 -153.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.677 ' HA ' ' HB3' ' B' ' 64' ' ' SER . 14.5 p -18.34 -17.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 118.165 2.654 . . . . 2.21 118.165 -114.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' B' ' 65' ' ' ASP . 29.0 mm-40 -75.77 -58.57 3.2 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 120.577 1.535 . . . . 4.0 109.377 167.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.534 ' OD2' HD21 ' B' ' 66' ' ' LEU . 6.4 m-20 -77.22 4.47 10.44 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.289 -0.868 . . . . 3.62 110.139 177.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.677 ' HB3' ' HA ' ' B' ' 61' ' ' VAL . 9.2 t -85.53 -23.29 27.77 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.748 -0.834 . . . . 2.92 108.748 168.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' B' ' 62' ' ' GLU . 22.9 t70 -62.23 -36.89 83.36 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.574 -0.528 . . . . 3.46 109.574 170.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.534 HD21 ' OD2' ' B' ' 63' ' ' ASP . 3.9 pp -84.46 28.13 0.67 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 120.644 -0.422 . . . . 1.87 112.052 174.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' B' ' 64' ' ' SER . . . -46.23 153.05 0.36 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.581 1.326 . . . . 1.54 114.581 -175.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 82.1 mt -98.97 163.4 18.82 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 114.554 -1.203 . . . . 1.56 110.194 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -54.02 -50.28 14.19 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.746 2.298 . . . . 2.75 113.997 -175.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -121.14 168.06 11.98 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 110.093 -0.336 . . . . 2.76 110.093 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 36.6 p -77.62 143.53 38.17 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.323 0.582 . . . . 1.55 109.853 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.67 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 4.1 mm? -71.72 -44.52 12.15 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.377 -0.829 . . . . 1.79 111.15 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.599 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 67.4 Cg_exo -46.89 -34.87 17.06 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.298 1.999 . . . . 1.06 113.333 173.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.41 -47.85 74.86 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.134 0.492 . . . . 2.27 110.082 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.52 HD12 HD13 ' B' ' 72' ' ' LEU . 81.2 mt -58.42 -38.27 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.505 0.669 . . . . 1.37 109.694 174.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.67 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 14.5 m-30 -69.35 -27.38 65.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.372 -0.831 . . . . 2.37 110.602 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.599 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 50.5 mt-10 -65.74 -26.5 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 2.51 110.011 176.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.72 -48.74 8.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.91 -0.586 . . . . 0.64 111.215 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.39 -46.49 39.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.633 0.605 . . . . 0.99 112.633 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.23 -12.33 60.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.978 0.362 . . . . 1.55 111.978 -172.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 19.2 p -90.07 -12.57 38.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.12 0.486 . . . . 2.33 110.491 174.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.68 155.08 21.14 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.869 -0.605 . . . . 2.59 111.644 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 tttm . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.389 -0.815 . . . . 4.4 110.069 -178.506 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t70 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.845 0.355 . . . . 2.4 110.489 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 64.2 t30 -82.14 -25.44 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.989 -0.551 . . . . 2.52 111.068 -177.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HA ' HD23 ' A' ' 21' ' ' LEU . 45.7 mmtm -67.93 -47.35 68.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.433 -0.348 . . . . 1.9 111.398 -173.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -42.1 87.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.334 -0.394 . . . . 1.49 110.933 177.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.471 ' HA ' ' OD1' ' A' ' 63' ' ' ASP . 65.7 mtp180 -73.58 -42.56 61.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.073 0.463 . . . . 2.34 111.118 -176.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.615 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -56.89 -49.72 74.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.61 0.719 . . . . 0.7 110.0 176.337 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.615 ' N ' ' HG ' ' A' ' 21' ' ' LEU . . . -77.91 -14.06 59.68 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.344 -0.843 . . . . 0.83 110.867 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.494 ' O ' ' HB ' ' A' ' 26' ' ' ILE . 9.0 t80 -61.0 -43.87 98.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.329 0.585 . . . . 2.99 109.8 170.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.9 67.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.189 0.519 . . . . 1.14 109.932 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' A' ' 22' ' ' ALA . 49.4 mt -63.4 -34.35 66.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.483 -0.781 . . . . 0.97 110.117 172.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.776 HD11 ' C ' ' A' ' 58' ' ' GLY . 77.5 mt -55.71 -53.8 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.402 -0.363 . . . . 0.78 110.72 175.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -53.17 -46.57 68.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.66 -0.7 . . . . 1.58 111.654 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.426 ' CE2' ' HE2' ' B' ' 18' ' ' LYS . 54.7 t80 -73.87 -50.2 21.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.417 -0.356 . . . . 1.98 111.168 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.0 mp -65.3 -29.93 70.74 Favored 'General case' 0 C--O 1.222 -0.345 0 N-CA-C 111.719 0.266 . . . . 0.7 111.719 -176.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.83 -45.79 77.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.409 . . . . 1.41 110.107 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.31 -44.59 75.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.419 0.628 . . . . 1.98 110.176 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 29' ' ' LEU . 11.7 tt0 -57.01 -46.48 82.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.782 -1.099 . . . . 1.92 111.473 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -64.25 -42.16 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 1.22 110.244 -177.475 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.02 -28.33 68.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 3.49 111.007 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -86.85 -11.36 51.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.169 -0.468 . . . . 2.68 110.769 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.63 41.74 34.53 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.888 -0.673 . . . . 0.53 111.947 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.94 -44.26 97.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.185 -0.531 . . . . 0.52 113.187 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.535 ' HG ' ' HB1' ' B' ' 56' ' ' ALA . 4.2 mm? -93.55 -174.42 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.004 0.43 . . . . 0.83 111.785 -178.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 m -69.15 167.2 16.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.586 -0.733 . . . . 1.42 111.151 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 p -59.28 -55.79 30.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.599 0.592 . . . . 1.63 112.599 -172.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.35 -43.29 95.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.935 0.398 . . . . 2.2 110.612 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.619 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -59.49 -39.6 84.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.691 -0.686 . . . . 0.54 110.841 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.467 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.7 tt0 -55.71 -56.63 18.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 1.56 111.17 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.97 -33.15 73.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.425 0.631 . . . . 2.36 110.206 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.469 ' HB3' ' SG ' ' B' ' 52' ' ' CYS . 44.1 m -72.55 -40.97 66.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.29 -0.868 . . . . 1.04 111.602 -177.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 23.4 mt -58.88 -33.4 70.46 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 121.03 -0.268 . . . . 1.28 110.352 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.35 -51.8 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.849 -0.426 . . . . 1.76 109.849 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.2 t -56.63 -42.34 76.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.996 -0.547 . . . . 0.49 110.138 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.716 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -58.06 -42.9 86.46 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.475 -0.784 . . . . 0.48 110.439 176.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 46' ' ' LEU . 73.6 mt -61.46 -34.31 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.61 111.424 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 1.8 mp0 -63.54 -46.02 87.92 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.872 0.844 . . . . 1.84 109.876 174.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' B' ' 45' ' ' SER . 31.1 m -60.34 -42.75 96.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.903 -1.044 . . . . 0.69 109.988 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 57.5 mt -64.64 -39.11 93.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.064 -0.971 . . . . 0.76 110.049 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HB3' ' O ' ' A' ' 51' ' ' GLN . 43.5 tt0 -50.33 -27.98 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.151 0.58 . . . . 1.65 111.634 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 m -83.36 -51.08 7.71 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.325 -0.55 . . . . 1.16 112.126 172.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.52 ' HB1' ' HG ' ' B' ' 38' ' ' LEU . . . -104.05 -43.71 5.2 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.957 1.836 . . . . 1.15 115.957 -169.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.492 ' O ' ' HB3' ' A' ' 53' ' ' LEU . 19.4 t80 -153.02 66.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.923 0.392 . . . . 2.05 111.569 -150.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.776 ' C ' HD11 ' A' ' 26' ' ' ILE . . . 112.92 47.92 0.64 Allowed Glycine 0 C--N 1.292 -1.87 0 N-CA-C 105.95 -2.86 . . . . 2.6 105.95 -158.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.493 ' N ' HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -74.16 -167.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-N 108.495 -3.853 . . . . 1.35 114.709 -168.25 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 p -71.86 179.03 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 2.38 111.462 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 64' ' ' SER . 13.5 p -75.47 -5.81 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.44 0.638 . . . . 2.21 110.846 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.47 -37.3 85.41 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.622 0.725 . . . . 4.01 109.262 173.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.471 ' OD1' ' HA ' ' A' ' 20' ' ' ARG . 8.2 t70 -66.2 -27.5 68.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.092 -0.958 . . . . 3.62 109.758 177.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 15.0 t -64.6 -27.87 69.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 2.91 109.966 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -67.04 -42.15 85.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.418 . . . . 3.46 110.135 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.02 33.48 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.403 -0.362 . . . . 1.87 110.903 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.28 159.23 3.65 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.138 0.792 . . . . 1.53 113.138 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.8 mt -81.3 149.16 65.03 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.268 -0.878 . . . . 1.55 110.666 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.77 -23.64 76.95 Favored 'Trans proline' 0 N--CA 1.476 0.456 0 C-N-CA 124.175 3.25 . . . . 2.74 114.044 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.465 ' NE2' HD11 ' A' ' 75' ' ' ILE . 3.2 pt20 -128.93 156.05 44.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.993 -0.373 . . . . 2.75 109.993 -173.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 p -79.21 134.69 36.67 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.773 -0.825 . . . . 1.55 108.773 170.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.631 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 4.4 mm? -80.61 -44.16 1.31 Allowed Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 115.796 -0.638 . . . . 1.79 112.549 -173.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.568 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 75.6 Cg_exo -47.87 -35.0 23.45 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.897 1.732 . . . . 1.07 113.292 173.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.28 -41.82 80.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 2.28 110.203 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.465 HD11 ' NE2' ' A' ' 70' ' ' GLN . 27.3 mm -61.52 -40.04 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.714 -0.675 . . . . 1.38 110.531 175.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.631 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 13.0 m-30 -61.72 -33.64 74.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.612 -0.722 . . . . 2.36 110.477 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -71.36 -31.44 67.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.152 -0.477 . . . . 2.52 111.157 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.85 -64.04 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.202 0.445 . . . . 0.65 112.202 -175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.35 93.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.876 0.369 . . . . 0.99 111.933 -171.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -72.93 -13.52 61.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 1.56 112.15 -173.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.1 t -107.49 -4.7 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.829 -0.348 . . . . 2.33 110.789 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.78 120.45 0.81 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.878 -0.677 . . . . 2.59 112.041 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.671 -0.681 . . . . 4.41 110.473 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.933 0.397 . . . . 3.68 110.424 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -86.71 133.92 33.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 2.42 110.57 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 64.4 t30 -82.11 -25.57 34.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.013 -0.54 . . . . 2.52 111.104 -177.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.443 ' HA ' HD23 ' B' ' 21' ' ' LEU . 45.6 mmtm -67.85 -47.45 68.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.519 -0.309 . . . . 1.89 111.303 -172.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -42.23 87.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.32 -0.4 . . . . 1.49 110.937 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 65.4 mtp180 -73.33 -42.86 61.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.17 0.51 . . . . 2.34 111.201 -176.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.637 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 0.1 OUTLIER -56.67 -49.79 74.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.722 0.772 . . . . 0.7 110.068 176.403 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.637 ' N ' ' HG ' ' B' ' 21' ' ' LEU . . . -77.71 -14.99 59.45 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.223 -0.899 . . . . 0.83 110.807 -175.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.496 ' O ' ' HB ' ' B' ' 26' ' ' ILE . 9.1 t80 -60.18 -43.93 95.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.277 0.561 . . . . 2.99 109.856 170.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.99 67.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.295 0.569 . . . . 1.14 109.937 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' B' ' 22' ' ' ALA . 48.8 mt -63.5 -34.37 67.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.308 -0.86 . . . . 0.97 110.08 172.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.678 HD11 ' C ' ' B' ' 58' ' ' GLY . 77.4 mt -55.67 -53.72 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.366 -0.379 . . . . 0.78 110.716 175.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -53.2 -46.6 69.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.812 -0.631 . . . . 1.58 111.672 -175.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -73.9 -50.12 21.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.376 . . . . 1.98 111.228 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.536 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.0 mp -65.26 -29.91 70.73 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 111.827 0.306 . . . . 0.7 111.827 -176.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -66.81 -45.87 76.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.982 0.42 . . . . 1.41 110.124 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -68.33 -44.59 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 1.98 110.064 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.407 ' HB3' ' HA ' ' B' ' 29' ' ' LEU . 11.7 tt0 -56.94 -46.65 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.902 -1.045 . . . . 1.93 111.431 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.5 OUTLIER -64.18 -42.26 96.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.865 -0.607 . . . . 1.22 110.224 -177.379 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.0 -28.27 68.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 3.5 110.935 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -86.74 -11.59 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.149 0.499 . . . . 2.69 110.83 -178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.64 42.02 33.6 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.952 -0.642 . . . . 0.53 111.949 -177.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.96 -44.39 97.22 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.231 -0.509 . . . . 0.53 113.095 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.52 ' HG ' ' HB1' ' A' ' 56' ' ' ALA . 4.2 mm? -93.3 -174.09 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.124 0.488 . . . . 0.83 111.777 -178.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m -69.58 167.19 17.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.501 -0.772 . . . . 1.42 111.158 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.3 p -59.53 -55.43 34.62 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.635 0.606 . . . . 1.63 112.635 -172.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.71 -43.28 93.98 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.886 0.374 . . . . 2.21 110.487 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.603 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -59.41 -39.64 84.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.81 -0.632 . . . . 0.54 110.828 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.464 ' O ' HD21 ' B' ' 33' ' ' LEU . 8.8 tt0 -55.61 -56.63 18.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 1.57 111.147 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -62.25 -32.83 73.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.499 0.666 . . . . 2.36 110.247 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . 0.467 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 45.8 m -72.66 -41.08 65.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.227 -0.897 . . . . 1.04 111.525 -177.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 23.1 mt -58.83 -33.37 70.32 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 121.003 -0.279 . . . . 1.28 110.335 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.42 -51.76 68.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.769 -0.456 . . . . 1.75 109.769 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.6 t -56.65 -42.45 76.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.954 -0.566 . . . . 0.49 110.114 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.727 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -57.96 -42.81 85.74 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.504 -0.771 . . . . 0.48 110.495 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.541 HG13 ' O ' ' B' ' 46' ' ' LEU . 73.7 mt -61.57 -34.13 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.62 111.469 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' B' ' 54' ' ' GLU . 1.8 mp0 -63.71 -46.05 87.19 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.866 0.841 . . . . 1.84 109.913 174.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 45' ' ' SER . 30.5 m -60.13 -42.92 95.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.934 -1.03 . . . . 0.69 109.984 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 57.8 mt -64.4 -39.42 93.82 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.055 -0.975 . . . . 0.76 109.905 176.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.446 ' C ' ' HA ' ' B' ' 59' ' ' VAL . 43.1 tt0 -50.02 -28.09 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.135 0.574 . . . . 1.66 111.612 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.41 ' O ' HG12 ' B' ' 59' ' ' VAL . 8.5 m -82.36 -56.38 3.93 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.185 -0.606 . . . . 1.15 111.755 171.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.535 ' HB1' ' HG ' ' A' ' 38' ' ' LEU . . . -94.61 -45.73 7.26 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 117.658 2.466 . . . . 1.14 117.658 -171.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.429 ' HB3' HD22 ' B' ' 53' ' ' LEU . 11.4 t80 -148.12 49.25 1.05 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 115.28 1.585 . . . . 2.06 115.28 -141.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . 0.678 ' C ' HD11 ' B' ' 26' ' ' ILE . . . 109.32 58.33 0.53 Allowed Glycine 0 CA--C 1.475 -2.433 0 N-CA-C 106.425 -2.67 . . . . 2.6 106.425 -148.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.561 ' N ' HD11 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -87.69 -169.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.213 1 CA-C-N 106.007 -5.096 . . . . 1.35 112.661 -167.022 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 36.2 p -69.73 179.02 2.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.364 0.602 . . . . 2.38 111.748 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' B' ' 64' ' ' SER . 13.7 p -75.11 -6.05 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.398 0.618 . . . . 2.21 110.927 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.39 -37.2 84.85 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.676 0.751 . . . . 4.0 109.368 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.455 ' OD1' ' HA ' ' B' ' 20' ' ' ARG . 8.3 t70 -66.19 -27.62 68.13 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.092 -0.958 . . . . 3.62 109.697 177.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' B' ' 61' ' ' VAL . 14.1 t -64.49 -27.93 69.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.892 -0.595 . . . . 2.92 110.035 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -66.91 -41.87 86.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 3.46 110.18 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.02 29.35 4.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.234 -0.439 . . . . 1.87 111.207 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.27 159.26 1.38 Allowed 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.366 0.876 . . . . 1.54 113.366 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 61.2 mt -81.62 149.16 63.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.21 -0.905 . . . . 1.56 110.802 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.98 -23.19 76.87 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.009 3.139 . . . . 2.75 114.281 -176.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . 0.47 ' OE1' ' HA ' ' A' ' 80' ' ' ALA . 3.3 pt20 -129.07 156.16 44.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.964 -0.384 . . . . 2.76 109.964 -173.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 16.4 p -79.36 140.29 37.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.836 -1.172 . . . . 1.55 107.836 170.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.638 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 4.4 mm? -83.93 -44.56 0.78 Allowed Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.666 -0.697 . . . . 1.79 112.487 -173.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' B' ' 76' ' ' PHE . 75.5 Cg_exo -47.74 -35.31 23.34 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.0 1.8 . . . . 1.06 113.157 173.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.14 -41.59 81.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.144 0.497 . . . . 2.27 110.31 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.465 HD11 ' NE2' ' B' ' 70' ' ' GLN . 27.4 mm -61.78 -39.92 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 1.37 110.495 175.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.638 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 12.9 m-30 -61.77 -33.54 74.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.628 -0.715 . . . . 2.37 110.531 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -71.24 -32.54 68.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.191 -0.459 . . . . 2.51 111.078 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.25 -64.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.605 0.594 . . . . 0.64 112.605 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.02 -39.51 93.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.248 -0.433 . . . . 0.99 111.871 -171.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -72.89 -13.59 61.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.193 -0.458 . . . . 1.55 112.045 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.2 t -107.4 -4.59 18.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.79 0.329 . . . . 2.33 110.73 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.98 120.3 0.8 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.821 -0.704 . . . . 2.59 112.06 -178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.748 -0.644 . . . . 4.4 110.446 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 7.7 m-20 . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.139 -0.689 . . . . 2.4 109.139 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 29.6 p-10 -85.44 -18.32 33.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.353 -0.385 . . . . 2.52 110.845 -177.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HD2' ' CZ ' ' B' ' 28' ' ' PHE . 31.0 mmtp -71.53 -39.63 70.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.386 -0.37 . . . . 1.9 110.047 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.558 ' HE3' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -69.0 -20.32 64.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 1.49 110.353 174.36 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.672 ' O ' ' HB3' ' A' ' 23' ' ' TYR . 12.3 mtt180 -85.04 -13.24 51.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 2.34 110.477 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.542 ' O ' HG12 ' A' ' 25' ' ' ILE . 14.1 tp -75.16 -35.11 61.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.985 -0.746 . . . . 0.7 108.985 170.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.715 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -62.13 -33.64 74.86 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.534 -0.543 . . . . 0.83 109.534 172.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.968 ' CE1' ' HB2' ' A' ' 62' ' ' GLU . 62.7 t80 -50.35 -50.25 51.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.274 -0.875 . . . . 2.99 109.406 172.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' A' ' 72' ' ' LEU . . . -56.62 -47.02 80.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.276 -0.874 . . . . 1.14 111.453 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 21' ' ' LEU . 9.7 mm -67.75 -55.46 16.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.075 -0.966 . . . . 0.97 110.214 -172.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.5 HG22 HG23 ' A' ' 61' ' ' VAL . 45.0 mt -64.98 -38.25 82.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.114 -0.494 . . . . 0.78 110.586 -176.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -62.22 -49.15 76.87 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.653 0.263 . . . . 1.58 111.139 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' HB2' ' HG3' ' A' ' 73' ' ' PRO . 13.3 t80 -64.2 -56.14 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.259 0.552 . . . . 1.98 110.294 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.674 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.5 mp -60.88 -32.68 72.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.039 -0.982 . . . . 0.7 111.662 -176.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -55.75 -58.25 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.114 0.483 . . . . 1.41 111.1 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.68 -36.72 59.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.131 -0.486 . . . . 1.98 111.123 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.03 -34.03 74.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.995 0.426 . . . . 1.92 110.121 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.674 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.46 -50.66 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.734 -0.667 . . . . 1.22 109.718 176.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 4.9 tpm_? -64.41 -31.52 72.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.63 -0.714 . . . . 3.49 111.151 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -82.17 -12.18 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.964 0.412 . . . . 2.68 111.057 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.69 37.71 67.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.036 -0.602 . . . . 0.53 112.134 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 -32.44 81.91 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.257 -0.497 . . . . 0.52 112.783 -177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.586 HD23 HD11 ' A' ' 46' ' ' LEU . 3.7 mm? -111.57 152.53 27.47 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.983 -0.377 . . . . 0.83 109.983 177.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.2 t -71.68 171.22 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 1.42 110.118 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 m -42.49 -57.42 2.65 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.632 0.975 . . . . 1.63 113.632 -169.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.85 -42.24 95.05 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.138 0.494 . . . . 2.2 111.252 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 38' ' ' LEU . . . -71.97 -35.28 69.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.033 -0.531 . . . . 0.54 111.019 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.528 ' O ' HD21 ' A' ' 33' ' ' LEU . 9.0 tt0 -63.83 -52.68 59.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 1.56 110.662 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.32 -27.81 69.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.959 0.409 . . . . 2.36 110.436 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.3 m -67.53 -31.01 70.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 1.04 111.065 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.586 HD11 HD23 ' A' ' 38' ' ' LEU . 33.7 mt -63.57 -46.63 85.03 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.481 -0.563 . . . . 1.28 109.481 176.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 43.1 tt0 -58.52 -45.3 89.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 1.76 110.938 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.1 -42.54 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.49 110.41 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.64 94.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.48 110.82 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 46' ' ' LEU . 75.6 mt -55.68 -48.46 77.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 0.61 110.552 176.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 31.3 mm-40 -62.12 -40.27 95.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.55 . . . . 1.84 110.896 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.0 m -68.65 -46.64 68.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.9 -0.591 . . . . 0.69 111.269 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 85.3 mt -69.38 -28.49 66.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.686 -0.234 . . . . 0.76 111.175 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 1.7 tm-20 -58.17 -49.82 75.69 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.505 -0.554 . . . . 1.65 109.505 173.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.7 m -68.79 -34.78 76.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.715 -0.675 . . . . 1.16 110.766 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HA ' ' HB1' ' B' ' 42' ' ' ALA . . . -58.2 -67.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.6 -0.727 . . . . 1.15 112.034 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.715 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 98.4 m-85 -83.51 -9.25 59.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.022 0.439 . . . . 2.05 111.81 -173.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.36 45.02 20.3 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.884 -0.674 . . . . 2.6 112.429 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.629 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 5.3 m -125.43 172.75 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-O 121.691 0.758 . . . . 1.35 111.646 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.575 ' OG1' ' HB2' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -90.02 -170.18 2.69 Favored 'General case' 0 N--CA 1.432 -1.345 0 N-CA-C 107.019 -1.475 . . . . 2.38 107.019 159.665 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.5 HG23 HG22 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -52.86 -59.78 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 118.76 0.709 . . . . 2.21 112.548 -177.771 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.968 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -149.92 7.29 0.63 Allowed 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 123.456 1.598 . . . . 4.01 107.911 -179.543 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.575 ' HB2' ' OG1' ' A' ' 60' ' ' THR . 8.9 t70 -31.61 -86.87 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 110.203 -3.181 . . . . 3.62 113.912 -134.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.7 t -123.57 -40.08 2.37 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.69 -0.804 . . . . 2.91 110.274 171.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -54.7 -26.87 36.51 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.25 -0.886 . . . . 3.46 111.578 -169.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.931 HD12 ' HB2' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -125.32 14.56 8.31 Favored 'General case' 0 N--CA 1.425 -1.704 0 C-N-CA 119.968 -0.693 . . . . 1.87 110.739 -173.179 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . . . -64.63 119.86 11.31 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.712 -0.676 . . . . 1.53 110.639 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 66' ' ' LEU . 95.8 mt -114.48 153.93 46.59 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.518 -0.765 . . . . 1.55 110.631 -173.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -42.45 -50.66 5.54 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 124.013 3.142 . . . . 2.74 113.524 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -123.42 178.14 5.3 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.553 -0.536 . . . . 2.75 109.553 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 49.9 p -85.01 140.48 31.0 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.441 0.639 . . . . 1.55 110.212 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.701 HD13 HD12 ' A' ' 75' ' ' ILE . 4.2 mm? -70.53 -36.28 5.5 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.131 -0.941 . . . . 1.79 112.625 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 72' ' ' LEU . 1.8 Cg_endo -48.2 -43.11 32.25 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 121.828 1.686 . . . . 1.07 112.057 172.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.56 -43.56 89.46 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.122 0.487 . . . . 2.28 110.461 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.701 HD12 HD13 ' A' ' 72' ' ' LEU . 66.4 mt -59.5 -36.19 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.813 -0.63 . . . . 1.38 110.186 176.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -75.46 -22.13 57.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.937 -0.574 . . . . 2.36 110.959 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 44.1 mt-10 -71.71 -17.98 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.827 -0.434 . . . . 2.52 109.827 173.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.72 -44.89 9.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.871 -0.604 . . . . 0.65 110.779 171.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.15 -54.14 4.81 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.083 0.772 . . . . 0.99 113.083 -172.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.602 ' HA ' HD11 ' B' ' 72' ' ' LEU . . . -70.17 -13.25 62.11 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.1 0.476 . . . . 1.56 111.683 -173.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.0 m -81.1 -16.22 53.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.819 -0.628 . . . . 2.33 110.463 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.57 116.89 0.83 Allowed Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.762 -0.653 . . . . 2.59 111.524 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.581 -0.724 . . . . 4.41 110.11 -179.183 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.406 ' SD ' ' N ' ' B' ' 15' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.684 -0.487 . . . . 3.68 109.684 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 6.5 m-20 -112.04 77.33 1.03 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.044 -0.724 . . . . 2.42 109.044 175.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 29.5 p-10 -85.48 -18.55 33.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.172 -0.467 . . . . 2.52 110.786 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 31.0 mmtp -71.41 -39.68 70.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.426 -0.352 . . . . 1.89 110.147 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.578 ' HE3' ' CG1' ' B' ' 59' ' ' VAL . 0.0 OUTLIER -68.98 -20.42 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 1.49 110.42 174.385 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.689 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 12.1 mtt180 -84.09 -15.27 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.255 0.55 . . . . 2.34 110.413 175.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.542 ' O ' HG12 ' B' ' 25' ' ' ILE . 14.1 tp -73.73 -35.29 65.05 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.149 -0.686 . . . . 0.7 109.149 170.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.7 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -62.15 -33.62 74.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.578 -0.527 . . . . 0.83 109.578 172.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.973 ' CE1' ' HB2' ' B' ' 62' ' ' GLU . 62.8 t80 -50.37 -50.15 52.26 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.196 -0.911 . . . . 2.99 109.388 172.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' B' ' 72' ' ' LEU . . . -56.7 -47.05 80.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.318 -0.855 . . . . 1.14 111.371 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.542 HG12 ' O ' ' B' ' 21' ' ' LEU . 9.7 mm -67.72 -55.34 17.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.086 -0.961 . . . . 0.97 110.264 -172.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.523 HG22 HG23 ' B' ' 61' ' ' VAL . 44.7 mt -65.1 -38.25 82.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.106 -0.497 . . . . 0.78 110.561 -176.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.09 -49.19 76.93 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.834 0.35 . . . . 1.58 111.167 176.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.463 ' HB2' ' HG3' ' B' ' 73' ' ' PRO . 13.2 t80 -64.31 -56.15 16.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.23 0.538 . . . . 1.98 110.324 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.673 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.5 mp -60.75 -32.89 72.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.159 -0.928 . . . . 0.7 111.662 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -55.59 -58.34 8.19 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.184 0.516 . . . . 1.41 111.039 178.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.6 -36.72 60.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.113 -0.494 . . . . 1.98 111.13 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.05 -34.13 74.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.043 0.449 . . . . 1.93 110.146 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.673 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -64.42 -50.6 66.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.665 -0.698 . . . . 1.22 109.702 176.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' B' ' 34' ' ' ARG . 4.9 tpm_? -64.42 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.529 -0.76 . . . . 3.5 111.071 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -82.5 -11.88 58.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 2.69 111.048 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.5 37.69 69.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.122 -0.561 . . . . 0.53 112.073 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.85 -32.46 81.95 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.299 -0.477 . . . . 0.53 112.678 -177.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.601 HD23 HD11 ' B' ' 46' ' ' LEU . 3.7 mm? -111.67 152.67 27.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.891 -0.411 . . . . 0.83 109.891 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.8 t -71.73 171.09 12.2 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.295 -0.412 . . . . 1.42 110.11 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 8.8 m -42.52 -57.36 2.69 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.815 1.042 . . . . 1.63 113.815 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.94 -42.11 94.93 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.005 0.431 . . . . 2.21 111.218 -175.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' B' ' 38' ' ' LEU . . . -71.96 -35.28 69.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.136 -0.484 . . . . 0.54 111.07 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.531 ' O ' HD21 ' B' ' 33' ' ' LEU . 9.2 tt0 -63.82 -52.6 59.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.638 -0.71 . . . . 1.57 110.654 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.37 -27.94 69.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 2.36 110.505 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -67.5 -31.02 70.86 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.894 -0.593 . . . . 1.04 111.054 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.601 HD11 HD23 ' B' ' 38' ' ' LEU . 33.5 mt -63.57 -46.57 85.27 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.53 -0.545 . . . . 1.28 109.53 176.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 43.3 tt0 -58.63 -45.05 90.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.292 -0.867 . . . . 1.75 110.989 -178.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -64.35 -42.56 95.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 0.49 110.269 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.61 94.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.48 110.829 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 46' ' ' LEU . 75.8 mt -55.5 -48.58 77.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.62 110.626 176.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 30.6 mm-40 -62.08 -40.29 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 1.84 110.847 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 72.6 m -68.66 -46.66 68.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 0.69 111.207 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.409 ' HA ' ' HB3' ' B' ' 56' ' ' ALA . 85.7 mt -69.45 -28.54 66.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.675 -0.239 . . . . 0.76 111.163 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 1.7 tm-20 -58.01 -49.95 75.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.619 -0.511 . . . . 1.66 109.619 173.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -68.64 -34.81 76.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.597 -0.729 . . . . 1.15 110.7 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.437 ' HA ' ' HB1' ' A' ' 42' ' ' ALA . . . -58.17 -67.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.728 -0.669 . . . . 1.14 112.138 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.7 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 98.4 m-85 -83.56 -9.6 58.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.344 -0.389 . . . . 2.06 111.778 -173.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.68 44.91 19.12 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.978 -0.629 . . . . 2.6 112.316 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.63 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 5.4 m -125.26 172.89 12.24 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-O 121.626 0.727 . . . . 1.35 111.749 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' B' ' 63' ' ' ASP . 0.7 OUTLIER -90.49 -171.05 2.94 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 106.869 -1.53 . . . . 2.38 106.869 159.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.523 HG23 HG22 ' B' ' 26' ' ' ILE . 0.5 OUTLIER -53.87 -59.12 2.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 118.809 0.731 . . . . 2.21 112.594 -176.642 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.973 ' HB2' ' CE1' ' B' ' 23' ' ' TYR . 0.0 OUTLIER -146.4 7.66 1.01 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 123.262 1.506 . . . . 4.0 108.935 178.749 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.553 ' HA ' ' OE2' ' B' ' 62' ' ' GLU . 14.6 t70 -41.14 -83.51 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 111.355 -2.657 . . . . 3.62 115.027 -125.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 19.7 t -110.08 -48.38 3.2 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 119.76 1.164 . . . . 2.92 113.019 165.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -52.49 -26.65 13.57 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 112.412 -2.176 . . . . 3.46 111.339 -163.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.942 HD12 ' HB2' ' B' ' 23' ' ' TYR . 0.4 OUTLIER -125.04 14.66 8.47 Favored 'General case' 0 N--CA 1.421 -1.887 0 C-N-CA 120.056 -0.658 . . . . 1.87 110.644 -173.472 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.628 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . . . -64.49 119.94 11.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.917 -0.583 . . . . 1.54 110.544 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 66' ' ' LEU . 95.9 mt -114.77 154.09 46.86 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.568 -0.742 . . . . 1.56 110.578 -173.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -43.16 -49.68 7.02 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.946 3.098 . . . . 2.75 113.679 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -123.96 177.96 5.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.451 -0.574 . . . . 2.76 109.451 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.5 p -84.88 143.87 28.76 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.558 0.694 . . . . 1.55 109.862 177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.681 HD13 HD12 ' B' ' 75' ' ' ILE . 4.2 mm? -73.35 -36.15 3.02 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.016 -0.993 . . . . 1.79 112.284 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' B' ' 72' ' ' LEU . 1.7 Cg_endo -48.12 -43.04 31.96 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.806 1.671 . . . . 1.06 112.021 172.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.66 -43.8 88.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.047 0.451 . . . . 2.27 110.399 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.681 HD12 HD13 ' B' ' 72' ' ' LEU . 65.6 mt -59.3 -36.09 61.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.954 -0.566 . . . . 1.37 110.23 176.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -75.56 -22.08 57.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.993 -0.549 . . . . 2.37 111.0 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.2 mt-10 -71.47 -19.36 62.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.698 -0.482 . . . . 2.51 109.698 173.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.55 -46.01 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 0.64 110.977 171.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.62 -54.2 4.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.174 0.805 . . . . 0.99 113.174 -172.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.619 ' HA ' HD11 ' A' ' 72' ' ' LEU . . . -70.17 -13.3 62.13 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.105 0.478 . . . . 1.55 111.619 -173.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.1 m -81.24 -15.93 54.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.777 -0.647 . . . . 2.33 110.446 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.63 117.23 0.85 Allowed Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.741 -0.663 . . . . 2.59 111.48 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.485 -0.769 . . . . 4.4 110.003 -179.246 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.932 0.396 . . . . 2.4 110.298 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.468 ' OD1' ' HA ' ' B' ' 81' ' ' THR . 12.6 t30 -72.46 -6.02 40.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.442 0.639 . . . . 2.52 109.77 178.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -46.68 -47.54 20.29 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.85 -1.068 . . . . 1.9 110.191 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HB3' HG11 ' A' ' 59' ' ' VAL . 30.3 mtmt -62.7 -34.72 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.884 -1.053 . . . . 1.49 110.935 -175.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.712 ' O ' ' HB3' ' A' ' 23' ' ' TYR . 32.8 mtm180 -85.56 -13.82 47.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.542 -0.754 . . . . 2.34 111.058 -172.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.31 -49.18 75.0 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.752 -0.833 . . . . 0.7 108.752 167.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -61.09 -36.57 80.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.823 -0.626 . . . . 0.83 110.382 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.749 ' HB2' HD12 ' A' ' 66' ' ' LEU . 10.5 t80 -41.84 -58.77 1.91 Allowed 'General case' 0 N--CA 1.462 0.132 0 O-C-N 124.029 0.831 . . . . 2.99 111.658 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . . . -76.27 -26.42 55.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.087 -0.506 . . . . 1.14 111.799 -173.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 76.5 mt -66.28 -42.2 90.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.099 -0.704 . . . . 0.97 109.099 175.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.81 -50.85 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.733 -0.667 . . . . 0.78 110.304 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.522 ' NE2' HG12 ' A' ' 61' ' ' VAL . 28.8 mm-40 -57.02 -55.27 36.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.004 -0.544 . . . . 1.58 111.995 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -71.03 -47.99 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.082 -0.508 . . . . 1.98 111.365 -172.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.591 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 11.0 mp -65.09 -26.34 68.18 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.036 -0.265 . . . . 0.7 111.0 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -58.11 -54.14 50.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.308 0.575 . . . . 1.41 110.585 174.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.09 -37.29 54.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.988 -0.551 . . . . 1.98 110.839 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.66 -34.04 68.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.33 0.586 . . . . 1.92 109.823 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.593 HD23 ' HB2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -59.13 -53.98 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.93 -1.032 . . . . 1.22 109.895 176.487 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -78.89 -11.44 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.556 -0.747 . . . . 3.49 111.696 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -89.29 -13.89 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 2.68 110.612 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.71 40.25 76.56 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.846 -0.616 . . . . 0.53 111.825 -178.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.9 -45.08 96.46 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 121.236 -0.507 . . . . 0.52 113.085 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.555 HD23 HD11 ' A' ' 46' ' ' LEU . 3.1 mm? -105.61 -177.59 3.41 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.922 -0.163 . . . . 0.83 110.582 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.5 t -71.6 -177.24 1.81 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.784 0.326 . . . . 1.42 111.074 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -59.09 -62.39 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 1.63 111.924 -174.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.9 -37.68 84.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 2.2 110.7 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.02 87.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.737 -0.665 . . . . 0.54 110.751 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.503 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.8 tt0 -59.5 -53.88 53.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 1.56 110.122 177.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.87 -33.03 68.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.878 0.37 . . . . 2.36 110.904 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.5 m -66.0 -33.92 76.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 1.04 111.433 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.593 ' HB2' HD23 ' A' ' 33' ' ' LEU . 27.6 mt -60.94 -49.73 76.29 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.116 0.484 . . . . 1.28 109.736 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.27 -42.75 91.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.103 -0.953 . . . . 1.76 111.3 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.34 -44.19 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.922 0.391 . . . . 0.49 110.106 177.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.76 92.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 0.48 110.913 178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 46' ' ' LEU . 67.2 mt -53.62 -55.12 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.61 110.684 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -63.85 -36.8 85.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 1.84 111.352 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.7 m -65.06 -50.18 67.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.69 110.889 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.87 -34.9 74.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.594 0.235 . . . . 0.76 111.177 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.39 -48.76 76.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.285 0.564 . . . . 1.65 109.826 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 m -73.52 -32.87 64.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.443 -0.798 . . . . 1.16 110.768 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.84 -54.97 35.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 1.15 111.743 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.595 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 88.1 m-85 -90.28 0.92 57.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.874 0.369 . . . . 2.05 111.535 -176.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.24 44.53 90.69 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.768 -0.651 . . . . 2.6 112.745 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 19' ' ' LYS . 7.9 m -126.4 177.94 4.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.746 0.308 . . . . 1.35 110.939 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 63' ' ' ASP . 2.7 p -118.3 -171.64 2.11 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.189 -0.671 . . . . 2.38 109.189 171.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.522 HG12 ' NE2' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -34.79 -69.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 122.456 1.122 . . . . 2.21 113.408 -173.001 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.492 ' HB2' ' HE1' ' A' ' 23' ' ' TYR . 12.5 pt-20 -147.12 12.38 1.08 Allowed 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.632 -1.622 . . . . 4.01 107.138 -174.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.56 ' HB2' ' OG1' ' A' ' 60' ' ' THR . 17.6 t70 -8.31 -86.39 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 111.092 -2.776 . . . . 3.62 109.851 -132.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.6 t -138.54 -35.27 0.6 Allowed 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.832 -0.747 . . . . 2.91 110.639 155.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.6 -15.39 63.63 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.352 0.501 . . . . 3.46 112.352 -168.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.749 HD12 ' HB2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -111.67 11.69 21.1 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.191 -0.604 . . . . 1.87 110.557 -178.556 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . . . -60.75 129.3 40.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.696 -0.684 . . . . 1.53 110.702 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 67.2 mt -121.41 141.45 33.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 110.413 -0.217 . . . . 1.55 110.413 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -47.23 -53.34 6.51 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.045 2.497 . . . . 2.74 113.566 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -113.89 159.22 20.1 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.934 -0.395 . . . . 2.75 109.934 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 53.3 p -74.74 139.65 43.55 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.314 0.578 . . . . 1.55 110.045 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.627 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.5 mt -72.1 -40.25 7.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.34 -0.846 . . . . 1.79 113.238 -173.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -46.95 -35.75 18.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.963 1.775 . . . . 1.07 113.162 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.11 -44.32 80.24 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.175 0.512 . . . . 2.28 109.815 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.97 -38.72 75.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.601 -0.727 . . . . 1.38 109.926 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.627 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 14.8 m-30 -66.91 -35.82 80.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.476 -0.783 . . . . 2.36 110.9 -175.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -75.68 -16.03 60.23 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.551 -0.459 . . . . 2.52 110.807 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.38 -54.83 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.65 111.45 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.19 -52.63 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.186 0.517 . . . . 0.99 111.815 -175.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -68.44 -9.86 51.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.397 -0.82 . . . . 1.56 111.86 -172.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.481 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 7.2 t -72.35 -16.61 61.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.107 0.479 . . . . 2.33 110.662 177.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.61 102.86 0.16 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.943 -0.646 . . . . 2.59 111.799 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 tttp . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.588 -0.72 . . . . 4.41 109.929 -178.437 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 45.4 ttp . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.827 0.346 . . . . 3.68 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.62 93.19 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.305 -0.407 . . . . 2.42 110.345 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.481 ' OD1' ' HA ' ' A' ' 81' ' ' THR . 12.5 t30 -72.46 -6.0 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.434 0.635 . . . . 2.52 109.665 178.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -46.73 -47.42 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.927 -1.033 . . . . 1.89 110.118 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.515 ' HB3' HG11 ' B' ' 59' ' ' VAL . 30.3 mtmt -62.83 -34.99 78.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.104 -0.953 . . . . 1.49 110.947 -175.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.713 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 31.9 mtm180 -84.26 -15.67 45.92 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.43 -0.805 . . . . 2.34 111.158 -173.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.03 -49.3 76.55 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.909 -0.775 . . . . 0.7 108.909 167.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.592 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -61.2 -36.66 80.49 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.815 -0.629 . . . . 0.83 110.283 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.755 ' HB2' HD12 ' B' ' 66' ' ' LEU . 10.5 t80 -41.76 -58.74 1.89 Allowed 'General case' 0 C--N 1.333 -0.141 0 O-C-N 124.06 0.85 . . . . 2.99 111.647 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.45 ' HB2' ' HG ' ' B' ' 72' ' ' LEU . . . -76.4 -26.32 55.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.131 -0.486 . . . . 1.14 111.746 -173.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 76.7 mt -66.31 -42.18 90.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.074 -0.713 . . . . 0.97 109.074 175.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.419 HG21 ' HA ' ' B' ' 61' ' ' VAL . 85.0 mt -64.8 -50.81 73.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.73 -0.668 . . . . 0.78 110.347 174.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.52 ' NE2' HG12 ' B' ' 61' ' ' VAL . 28.0 mm-40 -57.09 -55.19 37.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.015 -0.539 . . . . 1.58 111.959 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -71.14 -48.0 54.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.179 -0.464 . . . . 1.98 111.395 -172.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 11.0 mp -64.96 -26.3 68.24 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.116 -0.233 . . . . 0.7 110.977 -178.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -58.24 -54.2 49.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.315 0.579 . . . . 1.41 110.48 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -37.27 55.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.844 -0.616 . . . . 1.98 110.916 -178.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -57.65 -34.09 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.29 0.567 . . . . 1.93 109.771 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.585 HD23 ' HB2' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -59.05 -53.87 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.966 -1.016 . . . . 1.22 110.017 176.404 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -79.08 -11.32 59.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.538 -0.756 . . . . 3.5 111.591 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -89.43 -13.61 37.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.0 0.429 . . . . 2.69 110.702 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.57 40.2 78.09 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.815 -0.63 . . . . 0.53 111.909 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.71 -45.28 95.97 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.281 -0.485 . . . . 0.53 112.997 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.543 HD23 HD11 ' B' ' 46' ' ' LEU . 3.1 mm? -105.5 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.483 -0.191 . . . . 0.83 110.483 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.0 t -71.97 -176.85 1.83 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.656 0.265 . . . . 1.42 111.084 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 44.4 t -59.36 -62.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 1.63 111.808 -174.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.84 -37.54 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.081 0.467 . . . . 2.21 110.687 -177.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.9 88.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.758 -0.656 . . . . 0.54 110.718 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.513 ' O ' HD21 ' B' ' 33' ' ' LEU . 8.8 tt0 -59.58 -53.74 54.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.638 -0.71 . . . . 1.57 110.109 177.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.93 -33.1 68.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.824 0.345 . . . . 2.36 110.912 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 36.3 m -65.88 -34.08 77.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.879 -0.601 . . . . 1.04 111.398 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.585 ' HB2' HD23 ' B' ' 33' ' ' LEU . 27.9 mt -60.99 -49.62 76.68 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.133 0.492 . . . . 1.28 109.768 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.33 -42.67 92.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.164 -0.925 . . . . 1.75 111.305 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.2 t -64.42 -44.1 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.985 -0.376 . . . . 0.49 109.985 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.8 92.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.039 -0.528 . . . . 0.48 110.861 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 46' ' ' LEU . 67.0 mt -53.48 -55.22 14.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.936 -0.574 . . . . 0.62 110.674 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -63.82 -36.77 84.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.84 111.359 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.98 -50.3 66.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.105 -0.498 . . . . 0.69 110.963 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.84 -34.87 74.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.621 0.248 . . . . 0.76 111.215 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.42 -48.8 76.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.275 0.559 . . . . 1.66 109.798 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 16.1 m -73.45 -32.86 64.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.449 -0.796 . . . . 1.15 110.822 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.98 -54.64 40.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.872 -0.603 . . . . 1.14 111.784 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.592 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 87.9 m-85 -90.52 1.19 56.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.015 0.435 . . . . 2.06 111.504 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.76 44.91 91.39 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.788 -0.642 . . . . 2.6 112.764 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.515 HG11 ' HB3' ' B' ' 19' ' ' LYS . 7.6 m -126.6 178.13 4.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.863 0.363 . . . . 1.35 110.87 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . 0.61 ' OG1' ' HB2' ' B' ' 63' ' ' ASP . 2.8 p -118.81 -171.43 2.09 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.71 -0.677 . . . . 2.38 109.225 171.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.52 HG12 ' NE2' ' B' ' 27' ' ' GLN . 0.2 OUTLIER -39.92 -63.65 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 114.018 1.118 . . . . 2.21 114.018 -169.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.491 ' HB2' ' HE1' ' B' ' 23' ' ' TYR . 12.7 pt-20 -147.52 18.09 1.17 Allowed 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.163 -1.38 . . . . 4.0 108.918 -176.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.61 ' HB2' ' OG1' ' B' ' 60' ' ' THR . 13.4 t70 -29.28 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 118.679 -1.209 . . . . 3.62 110.434 -117.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . 0.266 38.2 t -117.34 -45.53 2.72 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 122.884 2.583 . . . . 2.92 114.181 147.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.09 -14.67 61.06 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 112.566 -2.107 . . . . 3.46 111.977 -159.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.755 HD12 ' HB2' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -111.6 11.55 21.21 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 120.063 -0.655 . . . . 1.87 110.362 -178.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . . . -60.76 129.09 39.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.71 -0.677 . . . . 1.54 110.583 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 67.6 mt -121.29 141.77 33.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 119.589 -0.243 . . . . 1.56 110.407 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -48.58 -51.05 11.0 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.972 2.448 . . . . 2.75 113.821 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -115.29 159.2 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.785 -0.45 . . . . 2.76 109.785 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.4 p -74.8 143.42 43.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.226 -0.589 . . . . 1.55 109.488 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.613 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 67.1 mt -75.24 -39.98 3.38 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.4 -0.818 . . . . 1.79 112.989 -173.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.92 -35.93 19.19 Favored 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 122.038 1.825 . . . . 1.06 113.1 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.92 -44.63 80.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.113 0.483 . . . . 2.27 109.82 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.62 -38.88 73.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 115.665 -0.698 . . . . 1.37 109.962 173.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 14.8 m-30 -66.81 -35.78 80.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.445 -0.798 . . . . 2.37 110.905 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -75.58 -16.92 60.19 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.967 -0.458 . . . . 2.51 110.677 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.98 -55.46 3.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.64 111.56 177.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.9 -52.74 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.234 0.54 . . . . 0.99 111.882 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -67.56 -11.69 58.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.356 -0.838 . . . . 1.55 111.813 -172.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.468 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 6.9 t -71.02 -16.66 62.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.071 0.462 . . . . 2.33 110.793 177.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.5 102.95 0.16 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.016 -0.612 . . . . 2.59 111.838 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.342 -0.837 . . . . 4.4 110.064 -178.379 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 6.3 m-20 . . . . . 0 CA--C 1.517 -0.31 0 CA-C-O 120.73 0.3 . . . . 2.4 110.374 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.476 ' OD1' ' HD2' ' A' ' 18' ' ' LYS . 30.9 p-10 -74.25 -6.25 46.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.689 0.281 . . . . 2.52 110.486 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HD2' ' OD1' ' A' ' 17' ' ' ASN . 11.8 mptt -75.32 -51.75 12.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 1.9 110.742 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HB2' ' CG1' ' A' ' 59' ' ' VAL . 21.0 ptmt -63.76 -39.84 95.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.244 0.545 . . . . 1.49 110.599 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.521 HH11 ' HG ' ' A' ' 68' ' ' LEU . 79.2 mtt180 -62.68 -41.58 99.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.546 -0.752 . . . . 2.34 109.627 177.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.728 HD13 ' CE2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -62.08 -37.72 86.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.723 -0.671 . . . . 0.7 110.114 179.554 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -56.35 -31.03 63.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.312 -0.404 . . . . 0.83 110.815 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CD2' ' HB3' ' A' ' 63' ' ' ASP . 15.7 t80 -62.94 -39.19 93.87 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.013 -0.54 . . . . 2.99 110.409 176.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 69' ' ' PRO . . . -55.0 -43.2 73.39 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.178 0.513 . . . . 1.14 111.107 173.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.495 HD11 HD11 ' A' ' 21' ' ' LEU . 13.6 mm -63.83 -51.41 69.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.903 -1.044 . . . . 0.97 109.389 -176.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.492 HG12 HG23 ' A' ' 50' ' ' ILE . 81.1 mt -60.55 -51.31 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.159 -0.928 . . . . 0.78 110.909 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.696 ' HB3' HG23 ' A' ' 71' ' ' THR . 15.1 mm-40 -50.54 -59.46 4.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 1.58 112.249 -176.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.652 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 68.5 t80 -78.38 -61.78 1.9 Allowed 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.699 -0.401 . . . . 1.98 111.694 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.544 ' HA ' HE21 ' A' ' 32' ' ' GLN . 7.2 mp -56.91 -24.29 51.19 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.66 0.615 . . . . 0.7 112.66 -172.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -87.78 -38.19 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.126 -0.629 . . . . 1.41 110.856 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.32 -47.91 69.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 1.98 109.938 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.544 HE21 ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.47 -30.87 69.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.986 -1.006 . . . . 1.92 110.642 175.325 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -60.63 -41.71 95.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 1.22 110.233 -178.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -75.06 -22.87 58.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.107 -0.497 . . . . 3.49 110.86 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -85.34 -33.23 22.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.393 . . . . 2.68 111.589 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.576 ' HA2' ' OE1' ' A' ' 43' ' ' GLN . . . 102.37 43.44 2.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.694 -0.765 . . . . 0.53 112.773 177.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.51 -60.48 5.03 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.52 112.678 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.11 176.08 9.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.722 -0.281 . . . . 0.83 110.921 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 t -66.62 167.71 10.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 1.42 111.087 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 6.4 p -54.63 -53.87 49.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.931 0.345 . . . . 1.63 111.931 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.19 -37.85 88.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.044 0.449 . . . . 2.2 110.76 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -62.68 -40.41 97.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.785 -0.643 . . . . 0.54 110.546 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.576 ' OE1' ' HA2' ' A' ' 36' ' ' GLY . 20.6 mt-30 -52.26 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.697 -0.683 . . . . 1.56 111.187 176.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 48' ' ' VAL . 37.4 mm-40 -48.78 -38.53 22.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.307 -0.86 . . . . 2.36 111.633 177.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.2 m -67.56 -39.68 84.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.358 -0.383 . . . . 1.04 111.691 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 42.4 mt -66.68 -35.99 81.46 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.019 -0.363 . . . . 1.28 110.019 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 7.4 tp10 -54.87 -55.51 29.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 1.76 109.975 176.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 44' ' ' GLU . 16.0 t -52.57 -50.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.283 -0.871 . . . . 0.49 110.41 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -60.74 -50.34 73.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.171 -0.922 . . . . 0.48 111.632 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.499 HD11 ' CB ' ' A' ' 29' ' ' LEU . 61.5 mt -61.82 -42.01 92.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.551 . . . . 0.61 111.65 -176.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 74.3 mm-40 -63.32 -39.63 95.08 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.071 0.463 . . . . 1.84 110.435 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 79.6 m -68.91 -42.54 76.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 0.69 110.573 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 95.3 mt -62.86 -46.45 87.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.616 0.246 . . . . 0.76 111.18 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -55.8 -45.34 78.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 1.65 110.289 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.7 m -74.88 -35.27 62.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.723 -0.671 . . . . 1.16 111.157 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.01 -55.84 22.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.114 0.483 . . . . 1.15 111.241 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 19' ' ' LYS . 92.9 m-85 -77.28 -27.37 53.09 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.832 -0.622 . . . . 2.05 110.977 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.07 42.15 45.11 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.866 -0.606 . . . . 2.6 111.634 -176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 19' ' ' LYS . 27.4 m -113.33 153.22 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.923 0.392 . . . . 1.35 111.693 -174.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.9 p -142.35 -168.18 2.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.751 -0.659 . . . . 2.38 110.576 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.448 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 12.4 p -60.72 -11.11 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-O 121.856 0.836 . . . . 2.21 112.117 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 65' ' ' ASP . 20.6 mm-40 -56.87 -23.33 43.69 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.918 -0.489 . . . . 4.01 110.707 176.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.592 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 14.0 t70 -69.22 -26.66 64.92 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.33 -0.395 . . . . 3.62 110.617 178.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -65.33 -32.67 74.44 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.956 -0.387 . . . . 2.91 109.956 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 65.0 m-20 -61.94 -32.62 73.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 3.46 110.736 175.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.57 ' O ' HD23 ' A' ' 68' ' ' LEU . 3.7 pp -110.03 30.12 7.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.407 -0.36 . . . . 1.87 111.059 176.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -30.19 109.78 0.06 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 123.052 1.406 . . . . 1.53 114.352 -165.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.97 HD13 ' HD2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -127.15 -143.8 0.0 OUTLIER Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 111.719 -2.491 . . . . 1.55 107.59 -169.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.97 ' HD2' HD13 ' A' ' 68' ' ' LEU . 11.6 Cg_exo -32.92 24.05 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.883 1 C-N-CA 126.36 4.706 . . . . 2.74 116.208 147.067 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.826 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 1.9 pt20 -57.4 -168.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 124.886 1.275 . . . . 2.75 108.292 159.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.696 HG23 ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -44.66 114.43 0.7 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 119.233 0.924 . . . . 1.55 111.851 -171.325 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 70' ' ' GLN . 0.9 OUTLIER -90.72 -30.02 0.34 Allowed Pre-proline 0 C--O 1.181 -2.536 0 CA-C-O 116.592 -1.67 . . . . 1.79 114.939 -177.561 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.652 ' HG2' ' CG ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -30.68 -36.98 0.05 OUTLIER 'Trans proline' 0 CA--C 1.552 1.383 0 C-N-CA 122.923 2.415 . . . . 1.07 116.336 -172.703 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' LEU . 1.3 tm-20 -80.23 -55.85 4.63 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 118.267 0.485 . . . . 2.28 109.968 171.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.577 ' HB ' ' HG ' ' A' ' 72' ' ' LEU . 56.5 mt -44.73 -51.46 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-O 121.625 0.726 . . . . 1.38 110.866 170.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.718 ' CE2' HD13 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -62.88 -44.81 95.12 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 114.727 -1.124 . . . . 2.36 110.526 -177.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 73' ' ' PRO . 11.0 tp10 -53.88 -27.28 29.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.788 0.804 . . . . 2.52 109.606 178.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.61 2.22 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.778 -1.101 . . . . 0.65 111.481 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.07 67.46 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.056 0.455 . . . . 0.99 111.394 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HA ' ' HD3' ' B' ' 69' ' ' PRO . . . -69.19 -40.6 77.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.387 -0.824 . . . . 1.56 111.773 -175.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 p -82.37 -31.93 29.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.197 -0.456 . . . . 2.33 111.497 -176.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.26 54.86 4.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 2.59 112.49 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.676 -0.678 . . . . 4.41 109.702 179.137 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 57.2 ttp . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 121.018 0.437 . . . . 3.68 110.389 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 6.7 m-20 -82.78 103.51 12.33 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.915 -0.584 . . . . 2.42 110.251 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.494 ' OD1' ' HD2' ' B' ' 18' ' ' LYS . 31.2 p-10 -74.46 -6.05 46.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.755 0.312 . . . . 2.52 110.532 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.494 ' HD2' ' OD1' ' B' ' 17' ' ' ASN . 11.8 mptt -75.21 -51.86 12.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.89 110.735 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' B' ' 59' ' ' VAL . 21.0 ptmt -63.63 -40.03 95.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.281 0.563 . . . . 1.49 110.591 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.54 HH11 ' HG ' ' B' ' 68' ' ' LEU . 79.0 mtt180 -62.58 -41.65 99.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.507 -0.769 . . . . 2.34 109.638 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.718 HD13 ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -62.07 -37.61 85.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.734 -0.666 . . . . 0.7 110.151 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.416 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -56.4 -30.98 63.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.257 -0.428 . . . . 0.83 110.866 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' B' ' 63' ' ' ASP . 15.9 t80 -63.04 -39.21 94.06 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.941 -0.572 . . . . 2.99 110.361 176.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' B' ' 69' ' ' PRO . . . -54.93 -43.08 73.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.284 0.564 . . . . 1.14 111.238 173.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.487 HD11 HD11 ' B' ' 21' ' ' LEU . 13.4 mm -63.92 -51.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.807 -1.088 . . . . 0.97 109.45 -176.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.476 HG12 HG23 ' B' ' 50' ' ' ILE . 81.2 mt -60.55 -51.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.111 -0.95 . . . . 0.78 110.856 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.689 ' HB3' HG23 ' B' ' 71' ' ' THR . 15.3 mm-40 -50.28 -59.75 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 1.58 112.297 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.661 ' CG ' ' HG2' ' B' ' 73' ' ' PRO . 68.3 t80 -78.21 -61.91 1.85 Allowed 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.791 -0.364 . . . . 1.98 111.704 -176.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.543 ' HA ' HE21 ' B' ' 32' ' ' GLN . 7.2 mp -56.83 -24.46 51.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.75 0.648 . . . . 0.7 112.75 -172.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -87.32 -38.39 16.29 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.179 -0.609 . . . . 1.41 110.872 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -67.25 -48.03 68.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.584 0.707 . . . . 1.98 110.024 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.543 HE21 ' HA ' ' B' ' 29' ' ' LEU . 0.0 OUTLIER -60.43 -30.73 69.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.072 -0.967 . . . . 1.93 110.706 175.32 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -60.7 -41.69 95.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 1.22 110.306 -178.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -75.09 -23.02 57.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 3.5 110.823 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -85.17 -33.13 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.477 -0.329 . . . . 2.69 111.547 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . 0.595 ' HA2' ' OE1' ' B' ' 43' ' ' GLN . . . 102.54 42.67 2.12 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.618 -0.801 . . . . 0.53 112.886 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.1 -60.75 4.99 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 120.774 -0.727 . . . . 0.53 112.65 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.87 176.06 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.584 0.231 . . . . 0.83 110.903 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 32.2 t -66.73 167.99 10.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.335 -0.393 . . . . 1.42 111.247 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 7.7 p -54.82 -53.7 51.81 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.941 0.348 . . . . 1.63 111.941 -175.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -65.33 -37.86 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.091 0.472 . . . . 2.21 110.765 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.55 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -62.6 -40.45 96.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 0.54 110.518 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.595 ' OE1' ' HA2' ' B' ' 36' ' ' GLY . 20.7 mt-30 -52.09 -65.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.785 -0.643 . . . . 1.57 111.25 176.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.503 ' O ' HG23 ' B' ' 48' ' ' VAL . 34.8 mm-40 -48.75 -38.5 21.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.167 -0.924 . . . . 2.36 111.622 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -67.43 -39.88 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 1.04 111.645 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 41.7 mt -66.47 -36.18 82.12 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.058 -0.349 . . . . 1.28 110.058 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 7.5 tp10 -54.8 -55.48 29.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.75 109.998 176.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 44' ' ' GLU . 15.9 t -52.64 -50.45 41.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.321 -0.854 . . . . 0.49 110.332 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -60.58 -50.23 74.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.203 -0.908 . . . . 0.48 111.745 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.498 HD11 ' CB ' ' B' ' 29' ' ' LEU . 61.4 mt -61.88 -42.04 93.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.976 -0.556 . . . . 0.62 111.603 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 74.5 mm-40 -63.28 -39.83 95.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.103 0.478 . . . . 1.84 110.38 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -68.65 -42.54 77.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 0.69 110.667 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 95.4 mt -62.89 -46.47 87.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.645 0.259 . . . . 0.76 111.151 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.94 -45.04 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 1.66 110.376 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.6 m -75.11 -35.19 61.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.692 -0.685 . . . . 1.15 111.189 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.9 21.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 1.14 111.316 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' B' ' 19' ' ' LYS . 91.9 m-85 -77.64 -26.61 50.61 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.972 -0.558 . . . . 2.06 111.059 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.79 42.17 47.09 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.757 -0.656 . . . . 2.6 111.683 -176.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' B' ' 19' ' ' LYS . 28.4 m -113.3 152.76 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.891 0.377 . . . . 1.35 111.727 -174.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 38.8 p -141.9 -169.98 3.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 2.38 110.625 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.453 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 12.8 p -59.12 -11.3 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-O 121.82 0.819 . . . . 2.21 112.263 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 65' ' ' ASP . 21.3 mm-40 -56.92 -23.13 42.82 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.908 -0.495 . . . . 4.0 110.708 176.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.579 ' HB3' ' CD2' ' B' ' 23' ' ' TYR . 14.1 t70 -69.51 -26.66 64.64 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.299 -0.41 . . . . 3.62 110.461 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m -65.51 -32.31 73.84 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.893 0.378 . . . . 2.92 110.007 173.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 65.5 m-20 -62.04 -32.56 73.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.168 -0.469 . . . . 3.46 110.722 175.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.579 ' O ' HD23 ' B' ' 68' ' ' LEU . 3.7 pp -109.23 27.97 8.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.354 -0.385 . . . . 1.87 111.489 176.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -29.44 109.07 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 123.935 1.826 . . . . 1.54 115.019 -165.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.972 HD13 ' HD2' ' B' ' 69' ' ' PRO . 0.2 OUTLIER -128.31 -156.32 0.03 OUTLIER Pre-proline 0 C--N 1.299 -1.599 0 C-N-CA 130.482 3.513 . . . . 1.56 106.462 -166.12 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . 0.972 ' HD2' HD13 ' B' ' 68' ' ' LEU . 13.0 Cg_exo -26.0 20.18 0.0 OUTLIER 'Trans proline' 0 CA--C 1.563 1.944 0 C-N-CA 124.928 3.752 . . . . 2.75 116.531 149.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . 0.872 ' HG2' ' O ' ' B' ' 68' ' ' LEU 0.26 1.9 pt20 -61.64 -168.18 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 106.106 -1.813 . . . . 2.76 106.106 163.263 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . 0.689 HG23 ' HB3' ' B' ' 27' ' ' GLN 0.287 0.3 OUTLIER -56.93 127.69 33.09 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 122.25 2.296 . . . . 1.55 108.727 -157.802 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.645 HD12 ' O ' ' B' ' 70' ' ' GLN . 1.1 mp -91.64 -34.31 0.35 Allowed Pre-proline 0 C--O 1.181 -2.545 0 CA-C-N 112.834 -1.985 . . . . 1.79 115.398 -176.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.661 ' HG2' ' CG ' ' B' ' 28' ' ' PHE . 0.1 OUTLIER -30.54 -36.12 0.04 OUTLIER 'Trans proline' 0 CA--C 1.55 1.323 0 C-N-CA 123.105 2.537 . . . . 1.06 116.12 -170.368 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 72' ' ' LEU . 1.3 tm-20 -80.76 -55.87 4.53 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 118.211 0.459 . . . . 2.27 109.944 171.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.583 ' HB ' ' HG ' ' B' ' 72' ' ' LEU . 55.5 mt -44.51 -51.76 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-O 121.536 0.684 . . . . 1.37 110.874 169.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.728 ' CE2' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -62.94 -44.62 95.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 114.867 -1.061 . . . . 2.37 110.488 -177.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' B' ' 73' ' ' PRO . 10.7 tp10 -53.96 -27.33 30.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.738 0.78 . . . . 2.51 109.614 178.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.75 -59.51 2.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.759 -1.11 . . . . 0.64 111.502 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.31 -35.07 67.13 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.107 0.479 . . . . 0.99 111.433 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.49 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . . . -69.51 -40.21 77.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.417 -0.811 . . . . 1.55 111.767 -174.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.8 p -82.73 -31.56 28.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 2.33 111.54 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.61 55.28 4.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 2.59 112.435 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.41 -0.805 . . . . 4.4 109.92 179.103 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.924 0.392 . . . . 2.4 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 26.4 p-10 -73.82 -18.75 60.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.089 0.471 . . . . 2.52 110.349 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -71.21 -23.42 62.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.74 -0.663 . . . . 1.9 112.409 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.595 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 15.5 ptmt -87.06 -20.71 26.77 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.901 -0.32 . . . . 1.49 110.576 174.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.39 -40.03 52.03 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.495 -0.928 . . . . 2.34 108.495 172.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 5.9 tp -60.9 -42.59 98.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.618 -1.173 . . . . 0.7 109.418 168.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.759 ' HB1' ' O ' ' A' ' 58' ' ' GLY . . . -59.33 -46.33 88.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.98 -1.009 . . . . 0.83 110.932 175.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 64' ' ' SER . 86.9 t80 -51.88 -41.39 61.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.275 -0.875 . . . . 2.99 110.293 178.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.713 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . . . -55.38 -45.54 76.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.398 -0.819 . . . . 1.14 111.683 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 46.3 mt -75.49 -44.91 40.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 114.856 -1.065 . . . . 0.97 111.048 -170.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.791 HD12 HG23 ' A' ' 59' ' ' VAL . 7.0 mt -64.69 -46.77 91.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 C-N-CA 120.186 -0.605 . . . . 0.78 110.258 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -60.95 -64.94 0.78 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.908 0.706 . . . . 1.58 112.908 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.605 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 34.5 t80 -58.21 -51.78 68.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.132 0.492 . . . . 1.98 111.172 -174.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 25' ' ' ILE . 11.1 mp -61.0 -29.75 69.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.57 -0.741 . . . . 0.7 111.743 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 25.6 t-80 -72.66 -42.44 64.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.652 0.263 . . . . 1.41 110.539 177.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.18 -44.35 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.895 0.379 . . . . 1.98 110.296 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 -37.07 76.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.993 -0.548 . . . . 1.92 109.994 175.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -60.5 -38.7 85.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.512 -0.767 . . . . 1.22 110.753 -178.424 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -83.25 -12.57 56.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.225 -0.443 . . . . 3.49 110.905 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -97.86 -28.98 13.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.818 0.342 . . . . 2.68 111.557 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.444 ' HA2' ' OE1' ' A' ' 43' ' ' GLN . . . 86.67 43.19 6.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.823 -0.703 . . . . 0.53 111.931 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.74 -46.03 71.06 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.156 -0.545 . . . . 0.52 113.47 -175.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.497 ' HG ' ' HB1' ' B' ' 56' ' ' ALA . 4.4 mm? -89.25 -100.23 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.92 0.341 . . . . 0.83 111.92 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 t -142.3 164.23 30.69 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.254 -0.276 . . . . 1.42 110.254 -176.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 47.3 m -60.58 -57.14 14.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.179 0.437 . . . . 1.63 112.179 -173.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.08 -34.23 77.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 2.2 110.41 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HB1' ' HA ' ' B' ' 56' ' ' ALA . . . -58.89 -40.1 83.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.616 -0.72 . . . . 0.54 110.769 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 40' ' ' SER . 18.9 mt-30 -53.88 -68.02 0.21 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.572 -0.74 . . . . 1.56 111.36 178.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.97 -34.51 59.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.855 -0.612 . . . . 2.36 111.882 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.47 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 70.9 m -66.72 -33.84 76.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.458 0.17 . . . . 1.04 111.458 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.505 ' HB2' HD21 ' A' ' 33' ' ' LEU . 20.2 mt -69.07 -29.03 67.06 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.627 -0.429 . . . . 1.28 110.776 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.19 -39.51 92.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.203 -0.665 . . . . 1.76 109.203 175.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.1 t -65.61 -47.88 84.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.57 -0.741 . . . . 0.49 109.749 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' B' ' 49' ' ' ALA . . . -57.33 -46.6 83.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.267 -0.879 . . . . 0.48 111.419 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.35 -45.44 81.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.836 -0.62 . . . . 0.61 111.676 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -76.69 -37.44 56.13 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.789 -0.364 . . . . 1.84 111.808 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' B' ' 45' ' ' SER . 76.0 m -64.53 -38.65 91.75 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.457 0.646 . . . . 0.69 109.503 174.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.45 -51.58 68.87 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.407 -0.815 . . . . 0.76 109.463 170.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.919 ' HA ' ' O ' ' A' ' 57' ' ' PHE . 5.7 tt0 -57.11 -22.91 43.28 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.857 0.723 . . . . 1.65 110.844 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 m -64.37 -45.57 87.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.159 -0.473 . . . . 1.16 110.338 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.58 ' HA ' ' HB1' ' B' ' 42' ' ' ALA . . . -68.98 -73.07 0.16 Allowed 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.334 -0.987 . . . . 1.15 108.334 170.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.919 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 3.5 p90 -138.6 -49.68 0.54 Allowed 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 108.369 -0.974 . . . . 2.05 108.369 157.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.759 ' O ' ' HB1' ' A' ' 22' ' ' ALA . . . 54.26 -33.83 0.01 OUTLIER Glycine 0 C--O 1.217 -0.913 0 CA-C-N 114.039 -1.437 . . . . 2.6 113.284 -164.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.791 HG23 HD12 ' A' ' 26' ' ' ILE . 2.7 t -176.85 -162.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 129.82 3.248 . . . . 1.35 103.158 158.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.74 ' H ' HG12 ' A' ' 59' ' ' VAL . 43.9 p -135.39 159.42 41.63 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.193 -1.41 . . . . 2.38 107.193 146.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.84 -24.76 35.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.32 0.581 . . . . 2.21 110.949 -172.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.3 -26.26 66.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.698 -0.683 . . . . 4.01 111.494 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.69 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 8.9 t70 -78.54 -33.86 47.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 3.62 109.72 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.543 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 26.6 t -63.59 -24.52 67.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.539 -0.755 . . . . 2.91 109.511 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.45 -35.07 58.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.247 -0.888 . . . . 3.46 111.14 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 4.0 pp -76.14 -48.14 21.71 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.365 -0.534 . . . . 1.87 110.263 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.52 ' N ' HD12 ' A' ' 66' ' ' LEU . . . 49.49 115.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.516 0.932 . . . . 1.53 113.516 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.5 156.27 89.06 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.707 -0.679 . . . . 1.55 110.27 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -43.63 -50.18 7.25 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.181 2.587 . . . . 2.74 112.87 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -118.26 166.73 12.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 2.75 109.712 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.2 p -77.64 141.12 39.63 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.563 0.696 . . . . 1.55 110.168 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.713 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 3.2 mm? -64.04 -40.41 53.73 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 114.956 -1.02 . . . . 1.79 112.752 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.605 ' CG ' ' HB2' ' A' ' 28' ' ' PHE . 84.5 Cg_exo -45.86 -35.21 13.45 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.186 1.924 . . . . 1.07 113.071 171.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.44 -39.59 74.28 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.199 0.523 . . . . 2.28 110.146 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.465 HD12 HD13 ' A' ' 72' ' ' LEU . 55.0 mt -66.63 -35.34 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.289 0.566 . . . . 1.38 109.763 175.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 14.3 m-30 -73.96 -16.84 61.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.762 -0.653 . . . . 2.36 110.37 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 12.7 tp10 -78.64 -41.27 31.91 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.59 -0.732 . . . . 2.52 109.919 175.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.08 -49.95 7.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.941 -0.572 . . . . 0.65 112.204 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.56 -49.78 6.12 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.293 0.479 . . . . 0.99 112.293 -173.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -67.52 -5.98 17.66 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.846 0.684 . . . . 1.56 112.846 -172.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -20.47 64.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.82 0.343 . . . . 2.33 111.211 177.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.74 -154.21 10.46 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.331 -0.708 . . . . 2.59 111.331 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.0 tttp . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.475 -0.774 . . . . 4.41 109.791 175.645 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.767 0.317 . . . . 3.68 110.283 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.38 104.04 4.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.148 -0.478 . . . . 2.42 110.939 -178.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 26.7 p-10 -73.8 -18.78 60.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.191 -0.458 . . . . 2.52 110.368 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -71.04 -23.98 62.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.68 -0.691 . . . . 1.89 112.228 -173.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.588 ' HA ' ' HB3' ' B' ' 22' ' ' ALA . 15.6 ptmt -86.48 -20.87 27.44 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.901 -0.32 . . . . 1.49 110.658 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.44 -39.93 52.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.503 -0.925 . . . . 2.34 108.503 172.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 5.9 tp -60.9 -42.59 98.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.554 -1.203 . . . . 0.7 109.374 168.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.659 ' HB1' ' C ' ' B' ' 58' ' ' GLY . . . -59.42 -46.21 89.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.084 -0.962 . . . . 0.83 110.864 175.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.545 ' CE1' ' HA ' ' B' ' 64' ' ' SER . 86.6 t80 -51.73 -41.58 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.243 -0.89 . . . . 2.99 110.301 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.722 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . . . -55.33 -45.54 76.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.433 -0.803 . . . . 1.14 111.69 177.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.55 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 46.1 mt -75.46 -45.07 40.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.848 -1.069 . . . . 0.97 111.038 -170.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.785 HD12 HG23 ' B' ' 59' ' ' VAL . 7.0 mt -64.54 -46.82 91.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 C-N-CA 120.317 -0.553 . . . . 0.78 110.266 175.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -60.98 -65.09 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.868 0.692 . . . . 1.58 112.868 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . 0.612 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 34.9 t80 -58.19 -51.61 69.03 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.051 0.453 . . . . 1.98 111.236 -174.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' B' ' 25' ' ' ILE . 11.1 mp -61.02 -29.96 70.02 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.669 -0.696 . . . . 0.7 111.712 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' B' ' 26' ' ' ILE . 25.5 t-80 -72.46 -42.5 64.92 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.718 0.294 . . . . 1.41 110.616 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.21 -44.25 84.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 1.98 110.334 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -37.04 76.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 1.93 110.022 175.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -60.58 -38.86 85.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 1.22 110.693 -178.466 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' B' ' 34' ' ' ARG . 25.0 tpt180 -83.13 -12.53 56.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.322 -0.399 . . . . 3.5 111.084 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -97.9 -28.92 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.725 0.298 . . . . 2.69 111.58 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLY . . . . . 0.447 ' HA2' ' OE1' ' B' ' 43' ' ' GLN . . . 86.93 42.38 6.36 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.724 -0.75 . . . . 0.53 112.123 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.12 -46.46 72.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.131 -0.557 . . . . 0.53 113.293 -175.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.494 ' HG ' ' HB1' ' A' ' 56' ' ' ALA . 4.4 mm? -88.87 -101.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.603 -0.351 . . . . 0.83 111.796 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.9 t -140.24 164.95 28.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.441 -0.207 . . . . 1.42 110.441 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . 0.57 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 44.6 m -60.96 -57.27 13.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.206 0.447 . . . . 1.63 112.206 -174.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.97 -34.37 78.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.473 . . . . 2.21 110.403 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.58 ' HB1' ' HA ' ' A' ' 56' ' ' ALA . . . -58.56 -40.23 82.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.624 -0.716 . . . . 0.54 110.796 175.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' B' ' 40' ' ' SER . 18.8 mt-30 -54.07 -67.43 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.704 -0.68 . . . . 1.57 111.384 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.51 -34.24 61.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.96 -0.564 . . . . 2.36 111.91 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 70.5 m -66.87 -33.77 76.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.504 0.187 . . . . 1.04 111.504 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.492 ' HB2' HD21 ' B' ' 33' ' ' LEU . 20.4 mt -69.12 -28.9 66.88 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.661 -0.416 . . . . 1.28 110.753 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.3 -39.53 93.29 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.285 -0.635 . . . . 1.75 109.285 175.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.3 t -65.55 -47.98 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.56 -0.745 . . . . 0.49 109.727 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . . . -57.29 -46.58 83.02 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.299 -0.864 . . . . 0.48 111.373 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 46.7 mt -56.28 -45.63 81.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.887 -0.597 . . . . 0.62 111.609 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.68 -37.27 56.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.882 -0.327 . . . . 1.84 111.837 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 45' ' ' SER . 76.6 m -64.63 -38.67 91.8 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.583 0.706 . . . . 0.69 109.483 174.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.44 ' HB3' ' HA3' ' B' ' 58' ' ' GLY . 19.9 mt -57.45 -51.77 68.1 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.4 -0.818 . . . . 0.76 109.366 170.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.897 ' HA ' ' O ' ' B' ' 57' ' ' PHE . 5.8 tt0 -57.11 -22.85 42.88 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.932 0.77 . . . . 1.66 110.737 -177.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -64.37 -45.26 88.48 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.182 -0.463 . . . . 1.15 110.173 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.568 ' HA ' ' HB1' ' A' ' 42' ' ' ALA . . . -70.76 -70.21 0.32 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.778 -0.823 . . . . 1.14 108.778 171.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' PHE . . . . . 0.897 ' O ' ' HA ' ' B' ' 54' ' ' GLU . 2.6 p90 -142.29 -39.64 0.36 Allowed 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.964 -0.562 . . . . 2.06 110.202 153.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . 0.659 ' C ' ' HB1' ' B' ' 22' ' ' ALA . . . 34.71 -13.36 0.0 OUTLIER Glycine 0 C--N 1.309 -0.945 0 CA-C-N 112.879 -1.964 . . . . 2.6 115.906 -161.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.785 HG23 HD12 ' B' ' 26' ' ' ILE . 2.7 t -179.7 -164.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.023 1 C-N-CA 132.506 4.323 . . . . 1.35 102.744 151.217 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . 0.701 ' H ' HG12 ' B' ' 59' ' ' VAL . 44.6 p -133.15 160.29 37.67 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.568 -1.253 . . . . 2.38 107.935 142.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.64 -24.96 35.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 118.583 0.629 . . . . 2.21 110.933 -172.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.08 -26.39 66.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.704 -0.68 . . . . 4.0 111.486 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.676 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 9.0 t70 -78.37 -33.82 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.519 0.676 . . . . 3.62 109.739 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.545 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 29.5 t -63.59 -24.66 67.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 2.92 109.351 174.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -76.2 -34.92 59.28 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.222 -0.899 . . . . 3.46 111.085 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 4.0 pp -77.7 -44.83 26.67 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.008 -0.677 . . . . 1.87 110.628 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.51 ' N ' HD12 ' B' ' 66' ' ' LEU . . . 47.2 115.71 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.747 1.018 . . . . 1.54 113.747 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.39 156.36 88.63 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.775 -0.648 . . . . 1.56 110.412 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -44.18 -49.4 8.7 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.034 2.49 . . . . 2.75 112.939 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -118.56 166.78 12.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.65 -0.5 . . . . 2.76 109.65 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.1 p -77.81 144.02 37.42 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.561 0.696 . . . . 1.55 109.707 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.722 ' HB2' ' HB2' ' B' ' 24' ' ' ALA . 3.3 mm? -66.51 -39.97 29.79 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.882 -1.053 . . . . 1.79 112.7 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.612 ' CG ' ' HB2' ' B' ' 28' ' ' PHE . 83.9 Cg_exo -45.79 -35.24 13.24 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.154 1.903 . . . . 1.06 113.081 171.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.55 -39.49 73.94 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.173 0.511 . . . . 2.27 110.072 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.468 HD12 HD13 ' B' ' 72' ' ' LEU . 54.7 mt -66.73 -35.3 74.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.376 0.608 . . . . 1.37 109.823 175.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 14.3 m-30 -73.78 -17.5 61.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.678 -0.692 . . . . 2.37 110.347 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . 0.437 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 12.3 tp10 -78.1 -41.22 35.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.542 -0.754 . . . . 2.51 110.018 175.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.25 -50.12 7.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.968 -0.56 . . . . 0.64 112.141 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.16 -50.14 6.0 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.395 0.517 . . . . 0.99 112.395 -173.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -65.2 -9.5 23.97 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.949 0.722 . . . . 1.55 112.949 -173.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -19.76 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.706 0.288 . . . . 2.33 111.251 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.87 -154.53 10.81 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.445 -0.662 . . . . 2.59 111.445 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.319 -0.848 . . . . 4.4 109.774 175.447 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.2 mmt . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.958 0.408 . . . . 3.68 110.545 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -82.31 76.23 9.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.093 -0.503 . . . . 2.4 110.829 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.625 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 17.5 p-10 -70.62 -20.28 62.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 2.52 109.518 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.46 -27.25 69.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.333 -0.849 . . . . 1.9 111.154 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HE3' ' OD2' ' A' ' 63' ' ' ASP . 18.6 mtmt -66.45 -49.42 66.75 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.544 0.688 . . . . 1.49 109.331 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -62.4 -38.68 90.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.473 -1.239 . . . . 2.34 109.725 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.7 tp -53.83 -55.53 25.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.477 -0.783 . . . . 0.7 110.337 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -61.33 -52.89 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.735 -0.666 . . . . 0.83 111.503 -178.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.609 ' OH ' ' HB2' ' A' ' 64' ' ' SER . 77.5 t80 -67.74 -39.1 84.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.147 0.425 . . . . 2.99 112.147 -172.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.08 83.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.089 0.471 . . . . 1.14 110.148 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.9 mt -68.66 -39.81 80.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.675 -0.693 . . . . 0.97 110.025 173.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 22' ' ' ALA . 41.2 mt -53.42 -47.08 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.209 -0.45 . . . . 0.78 111.055 174.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -64.07 -49.83 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 1.58 111.379 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 68.6 t80 -63.74 -44.79 92.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.246 -0.434 . . . . 1.98 110.695 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.574 HD23 HD11 ' A' ' 46' ' ' LEU . 7.5 mp -67.18 -32.32 73.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.7 111.034 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.44 -53.98 51.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.539 . . . . 1.41 110.767 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.91 -23.43 41.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.936 -0.575 . . . . 1.98 111.187 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.35 -37.81 83.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.073 -0.714 . . . . 1.92 109.073 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -47.18 87.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.948 -1.024 . . . . 1.22 109.529 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -64.28 -40.05 95.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.395 -0.82 . . . . 3.49 110.767 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -72.75 -22.21 60.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.111 -0.495 . . . . 2.68 111.199 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.85 38.79 18.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.091 -0.576 . . . . 0.53 112.274 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.31 -48.58 85.45 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.096 -0.574 . . . . 0.52 112.562 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 38' ' ' LEU . 2.9 mm? -86.13 -176.22 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.858 0.361 . . . . 0.83 110.428 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 m -83.14 173.66 11.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.223 -0.444 . . . . 1.42 110.146 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -57.0 -59.69 4.69 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.758 0.281 . . . . 1.63 111.758 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.55 -36.78 83.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.017 0.436 . . . . 2.2 110.411 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -61.89 -48.94 78.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.58 -0.736 . . . . 0.54 110.666 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.5 -58.15 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 1.56 111.584 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -48.95 -46.95 44.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.392 -0.822 . . . . 2.36 111.93 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 t -67.18 -37.2 83.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.455 0.645 . . . . 1.04 110.076 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.574 HD11 HD23 ' A' ' 29' ' ' LEU . 28.6 tp -64.67 -37.87 89.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.358 -0.837 . . . . 1.28 110.888 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.07 -42.47 98.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 1.76 110.036 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.4 t -62.94 -43.2 98.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.766 -0.652 . . . . 0.49 109.751 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.38 80.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.744 -0.662 . . . . 0.48 111.242 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 46' ' ' LEU . 85.4 mt -54.88 -54.59 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 0.61 111.043 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -66.91 -28.23 68.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 1.84 111.249 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.5 m -74.64 -42.11 59.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.368 -0.378 . . . . 0.69 110.475 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.81 -40.14 94.21 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.734 0.302 . . . . 0.76 110.589 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -56.29 -48.02 77.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 1.65 110.358 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 m -76.24 -31.03 58.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.699 -0.682 . . . . 1.16 111.294 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.554 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -63.44 -59.19 4.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 1.15 111.86 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -77.63 -7.39 56.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.032 0.444 . . . . 2.05 110.807 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.06 31.87 72.61 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.744 -0.662 . . . . 2.6 111.931 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.3 m -94.85 163.03 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.792 0.329 . . . . 1.35 110.74 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 p -142.47 -172.04 3.54 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.907 -0.588 . . . . 2.38 110.282 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.7 p -74.78 -6.23 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.842 0.83 . . . . 2.21 110.09 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.22 -25.44 67.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.083 -0.71 . . . . 4.01 109.083 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.49 ' OD2' ' HE3' ' A' ' 19' ' ' LYS . 9.1 m-20 -72.89 -10.43 59.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.293 -0.867 . . . . 3.62 110.264 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.609 ' HB2' ' OH ' ' A' ' 23' ' ' TYR . 22.6 t -80.56 -33.1 36.41 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.173 -0.677 . . . . 2.91 109.173 173.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.71 -35.6 80.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.748 -0.66 . . . . 3.46 110.24 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 pp -104.09 23.7 12.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.045 -0.525 . . . . 1.87 110.976 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 64' ' ' SER . . . -61.11 144.63 53.19 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.999 0.428 . . . . 1.53 111.106 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.499 HD12 HD21 ' A' ' 72' ' ' LEU . 90.2 mt -79.41 150.21 73.31 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.876 -0.602 . . . . 1.55 110.16 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -40.04 -51.05 3.26 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.92 3.08 . . . . 2.74 113.704 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.88 154.74 26.98 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.106 -0.701 . . . . 2.75 109.106 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.6 p -71.76 140.15 49.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.444 0.64 . . . . 1.55 109.375 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 68' ' ' LEU . 56.4 mt -63.67 -37.7 31.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.031 -0.986 . . . . 1.79 113.544 -172.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.525 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 58.2 Cg_exo -45.09 -37.46 12.92 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.0 1.8 . . . . 1.07 113.142 171.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.11 -48.7 79.0 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.163 0.506 . . . . 2.28 110.244 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.4 mt -58.44 -37.95 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.682 -0.69 . . . . 1.38 110.212 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 13.1 m-30 -66.29 -36.46 83.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 2.36 110.648 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.631 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 42.8 mt-10 -66.85 -20.56 65.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 2.52 110.955 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.94 -59.77 2.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.349 -0.387 . . . . 0.65 111.156 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.07 -40.3 68.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.084 0.772 . . . . 0.99 113.084 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -79.46 -30.12 42.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.892 0.377 . . . . 1.56 111.196 -175.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -80.72 -29.04 36.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.262 0.553 . . . . 2.33 110.638 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.81 98.49 0.49 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.982 -0.628 . . . . 2.59 111.923 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.654 -0.688 . . . . 4.41 109.893 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 21.2 mmt . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.933 0.397 . . . . 3.68 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.34 77.13 9.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.149 0.5 . . . . 2.42 110.767 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.631 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 17.3 p-10 -71.2 -20.14 62.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.968 -0.56 . . . . 2.52 109.612 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.53 -27.3 69.17 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.207 -0.906 . . . . 1.89 111.163 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.502 ' HE3' ' OD2' ' B' ' 63' ' ' ASP . 18.7 mtmt -66.35 -49.46 66.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 121.673 0.749 . . . . 1.49 109.379 175.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -62.36 -38.6 90.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.492 -1.231 . . . . 2.34 109.836 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 28.6 tp -53.87 -55.51 26.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.475 -0.784 . . . . 0.7 110.299 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.44 ' O ' HG13 ' B' ' 26' ' ' ILE . . . -61.34 -52.96 62.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.667 -0.697 . . . . 0.83 111.432 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.61 ' OH ' ' HB2' ' B' ' 64' ' ' SER . 77.5 t80 -67.72 -39.07 84.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.199 0.444 . . . . 2.99 112.199 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.01 82.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 1.14 110.179 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 32.4 mt -68.77 -39.87 80.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.55 -0.75 . . . . 0.97 109.85 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.44 HG13 ' O ' ' B' ' 22' ' ' ALA . 41.4 mt -53.41 -47.02 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.309 -0.405 . . . . 0.78 111.055 174.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -64.15 -49.66 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.338 -0.392 . . . . 1.58 111.491 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.433 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 68.9 t80 -63.96 -44.47 92.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.123 -0.489 . . . . 1.98 110.816 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.59 HD23 HD11 ' B' ' 46' ' ' LEU . 7.5 mp -67.39 -32.4 73.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.31 -0.405 . . . . 0.7 110.933 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -56.38 -53.97 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.528 . . . . 1.41 110.734 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.87 -23.33 41.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.952 -0.567 . . . . 1.98 111.324 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.56 -37.69 83.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.016 -0.735 . . . . 1.93 109.016 173.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -46.97 88.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.874 -1.057 . . . . 1.22 109.625 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -64.74 -39.66 94.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.281 -0.872 . . . . 3.5 110.696 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -73.24 -21.9 60.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.095 -0.502 . . . . 2.69 111.066 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.73 38.58 19.81 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.078 -0.582 . . . . 0.53 112.345 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.28 -48.41 86.28 Favored Glycine 0 C--N 1.329 0.161 0 C-N-CA 121.023 -0.608 . . . . 0.53 112.554 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.436 HD22 ' N ' ' B' ' 38' ' ' LEU . 2.9 mm? -85.97 -175.91 5.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.756 0.313 . . . . 0.83 110.476 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.4 m -83.52 173.66 11.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.323 -0.399 . . . . 1.42 110.001 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -57.1 -59.46 5.04 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.815 0.302 . . . . 1.63 111.815 -173.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.47 -36.98 84.18 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.983 0.421 . . . . 2.21 110.39 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -61.79 -49.02 78.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.458 -0.792 . . . . 0.54 110.629 177.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -55.47 -58.19 8.8 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.892 -0.594 . . . . 1.57 111.604 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -48.75 -46.88 41.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.407 -0.815 . . . . 2.36 112.045 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -67.29 -37.25 83.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.457 0.646 . . . . 1.04 110.055 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.59 HD11 HD23 ' B' ' 29' ' ' LEU . 28.5 tp -64.57 -37.88 89.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.323 -0.853 . . . . 1.28 110.911 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.2 -42.33 98.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.074 -0.512 . . . . 1.75 110.036 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.07 -43.04 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.828 -0.624 . . . . 0.49 109.764 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.68 -44.3 81.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.649 . . . . 0.48 111.173 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 46' ' ' LEU . 85.3 mt -54.81 -54.63 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.073 0.464 . . . . 0.62 111.068 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -66.69 -28.52 68.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.646 -0.706 . . . . 1.84 111.246 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.1 m -74.71 -41.93 59.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.336 -0.393 . . . . 0.69 110.404 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.75 -40.3 94.63 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.877 0.37 . . . . 0.76 110.596 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.17 -48.33 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.691 -0.686 . . . . 1.66 110.231 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -75.88 -31.45 59.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.704 -0.68 . . . . 1.15 111.189 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.499 ' O ' ' HB1' ' A' ' 42' ' ' ALA . . . -63.16 -59.19 5.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.934 -0.576 . . . . 1.14 111.756 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -77.59 -7.53 56.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.039 0.447 . . . . 2.06 110.833 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.2 31.88 72.16 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.755 -0.657 . . . . 2.6 111.882 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 33.2 m -94.9 162.42 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.76 0.314 . . . . 1.35 110.851 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 31.6 p -141.62 -171.91 3.42 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.93 -0.577 . . . . 2.38 110.363 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 p -74.65 -6.25 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.944 0.878 . . . . 2.21 110.339 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.28 -25.4 67.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.1 -0.704 . . . . 4.0 109.1 172.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.502 ' OD2' ' HE3' ' B' ' 19' ' ' LYS . 8.9 m-20 -72.87 -10.49 59.85 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.173 -0.921 . . . . 3.62 110.261 175.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.61 ' HB2' ' OH ' ' B' ' 23' ' ' TYR . 22.8 t -80.57 -33.17 36.28 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.115 -0.698 . . . . 2.92 109.115 173.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.61 -35.65 80.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.721 -0.672 . . . . 3.46 110.303 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 pp -103.98 23.38 13.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 1.87 111.012 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' B' ' 64' ' ' SER . . . -60.82 144.76 51.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.219 -0.446 . . . . 1.54 111.109 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.494 HD12 HD21 ' B' ' 72' ' ' LEU . 89.8 mt -79.58 150.25 72.82 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.87 -0.605 . . . . 1.56 110.248 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -40.62 -49.92 4.02 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.96 3.106 . . . . 2.75 113.846 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -114.71 154.77 27.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.02 -0.733 . . . . 2.76 109.02 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 36.7 p -71.84 143.63 49.38 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.878 -0.786 . . . . 1.55 108.878 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.494 HD21 HD12 ' B' ' 68' ' ' LEU . 56.4 mt -66.57 -37.35 14.97 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.104 -0.953 . . . . 1.79 113.292 -171.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.525 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 60.6 Cg_exo -45.01 -37.43 12.5 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.064 1.843 . . . . 1.06 113.206 171.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.21 -48.72 78.74 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.105 0.479 . . . . 2.27 110.231 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.4 -38.05 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.63 -0.714 . . . . 1.37 110.189 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 13.2 m-30 -66.17 -36.59 83.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.018 -0.537 . . . . 2.37 110.559 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.625 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 43.1 mt-10 -66.65 -21.86 66.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 2.51 110.866 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.81 -60.5 1.94 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.036 0.446 . . . . 0.64 111.406 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.93 -40.21 68.9 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.12 0.785 . . . . 0.99 113.12 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -79.43 -30.25 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.822 0.344 . . . . 1.55 111.211 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -80.73 -28.72 36.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.154 0.502 . . . . 2.33 110.659 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.97 98.52 0.48 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.885 -0.674 . . . . 2.59 111.951 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.658 -0.687 . . . . 4.4 109.853 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.21 -0.292 . . . . 3.68 110.21 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 51.9 m-20 -114.36 78.11 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.034 0.445 . . . . 2.4 110.95 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.559 ' CG ' ' HA ' ' B' ' 81' ' ' THR . 8.2 t30 -78.13 -4.49 47.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.53 0.681 . . . . 2.52 109.672 177.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 22.6 mmtp -57.18 -28.53 62.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.007 -0.997 . . . . 1.9 111.073 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 16' ' ' ASP . 4.3 ptpp? -64.12 -47.18 80.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.429 . . . . 1.49 111.205 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.464 ' HD2' ' OD1' ' A' ' 17' ' ' ASN . 89.1 mtt180 -65.26 -29.84 70.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.3 0.571 . . . . 2.34 109.755 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.525 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 21.7 tp -59.01 -55.81 30.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.189 -0.914 . . . . 0.7 110.235 174.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -44.05 97.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.83 111.122 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.75 -51.72 59.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.767 -0.651 . . . . 2.99 111.356 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.606 ' HB1' ' HD3' ' A' ' 73' ' ' PRO . . . -65.33 -34.25 77.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.115 -0.493 . . . . 1.14 111.377 -177.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 21' ' ' LEU . 79.0 mt -63.37 -46.97 94.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.572 -0.74 . . . . 0.97 109.679 175.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -53.22 -46.25 56.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 0.78 110.52 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -62.91 -53.69 50.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.315 -0.857 . . . . 1.58 112.181 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.552 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 74.5 t80 -67.58 -48.52 66.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.808 0.337 . . . . 1.98 111.039 -176.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.605 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.3 mp -59.42 -33.56 71.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 0.7 111.041 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -55.3 -58.14 8.94 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.031 0.443 . . . . 1.41 110.902 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.31 -40.25 70.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 1.98 111.235 -176.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.12 -38.24 79.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.301 0.572 . . . . 1.92 110.438 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.665 HD21 ' O ' ' A' ' 43' ' ' GLN . 1.3 tm? -64.68 -44.31 90.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.396 -0.82 . . . . 1.22 110.214 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -81.12 -2.46 48.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.865 -0.607 . . . . 3.49 110.935 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -98.71 -5.72 30.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 2.68 110.256 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.74 37.92 61.17 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.98 -0.629 . . . . 0.53 112.166 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.11 -55.05 32.73 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.083 -0.58 . . . . 0.52 112.827 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.481 HD23 HD11 ' A' ' 46' ' ' LEU . 3.0 mm? -92.5 -177.66 4.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.926 -0.161 . . . . 0.83 110.653 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 m -73.45 -179.75 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.69 -0.232 . . . . 1.42 110.906 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 t -64.87 -53.64 43.52 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.382 -0.198 . . . . 1.63 111.398 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.83 -42.99 94.76 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.174 0.512 . . . . 2.2 110.155 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.623 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -66.58 -34.59 78.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.104 -0.953 . . . . 0.54 110.939 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.665 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.9 tt0 -58.44 -51.5 69.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 1.56 110.508 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.39 -32.15 69.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.816 -0.629 . . . . 2.36 110.585 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -73.82 -35.68 64.88 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.649 -0.705 . . . . 1.04 111.452 -175.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.65 HD12 HD23 ' A' ' 33' ' ' LEU . 16.9 mt -61.58 -45.71 92.97 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 120.814 -0.354 . . . . 1.28 110.059 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.3 -46.69 69.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.526 -0.761 . . . . 1.76 110.587 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.09 -44.21 88.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.49 110.265 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.84 -38.63 79.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.964 -0.562 . . . . 0.48 111.547 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 46' ' ' LEU . 86.0 mt -56.85 -55.71 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.725 0.298 . . . . 0.61 110.737 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -61.95 -35.01 77.17 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.305 -0.407 . . . . 1.84 111.504 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.8 m -65.5 -49.25 69.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.566 -0.288 . . . . 0.69 110.903 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.25 -41.18 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.67 0.271 . . . . 0.76 110.807 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -56.47 -52.85 63.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.038 -0.528 . . . . 1.65 110.631 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 m -68.22 -31.99 71.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.697 -0.683 . . . . 1.16 111.308 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.653 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -73.9 -43.45 58.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.084 -0.507 . . . . 1.15 112.158 -175.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -82.84 -20.29 35.92 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.995 0.426 . . . . 2.05 110.82 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.61 32.77 40.49 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.759 -0.655 . . . . 2.6 111.836 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -108.96 158.36 8.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.723 0.297 . . . . 1.35 111.269 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 p -141.52 -170.45 3.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.944 -0.571 . . . . 2.38 110.017 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.3 p -63.18 -15.2 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.347 0.594 . . . . 2.21 110.934 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -63.07 -23.73 67.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.186 0.517 . . . . 4.01 110.198 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -71.54 -23.56 61.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.432 0.634 . . . . 3.62 109.385 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 t -71.93 -26.55 62.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.639 -0.71 . . . . 2.91 109.806 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.6 -41.06 93.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.955 -0.566 . . . . 3.46 110.038 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 pp -95.77 25.71 4.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.908 -0.587 . . . . 1.87 111.129 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.23 159.67 14.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.278 0.561 . . . . 1.53 111.76 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.536 HD12 HD21 ' A' ' 72' ' ' LEU . 93.0 mt -86.43 158.49 54.6 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.623 -0.717 . . . . 1.55 110.669 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -43.15 -49.79 6.92 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.197 2.598 . . . . 2.74 113.107 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -112.18 172.84 6.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.206 -0.452 . . . . 2.75 109.793 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.1 p -81.64 143.25 32.05 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.266 0.555 . . . . 1.55 110.068 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.56 HD23 ' HB2' ' A' ' 24' ' ' ALA . 3.5 mm? -69.07 -42.89 23.76 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.603 -0.726 . . . . 1.79 111.787 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.606 ' HD3' ' HB1' ' A' ' 24' ' ' ALA . 91.6 Cg_exo -42.53 -42.18 8.14 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.54 2.16 . . . . 1.07 112.709 170.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -64.4 -43.72 93.53 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.25 -0.432 . . . . 2.28 110.684 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.482 HD12 HD13 ' A' ' 72' ' ' LEU . 44.7 mt -63.5 -35.52 72.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.201 0.524 . . . . 1.38 110.059 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.566 ' HA ' ' HB3' ' A' ' 80' ' ' ALA . 19.3 m-30 -66.99 -27.06 67.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.694 -0.685 . . . . 2.36 111.056 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 46.2 mt-10 -84.21 -27.94 27.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.842 0.353 . . . . 2.52 110.727 178.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.433 ' O ' HG22 ' A' ' 81' ' ' THR . . . -89.58 -62.01 1.57 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.274 -0.421 . . . . 0.65 111.995 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.99 -44.9 11.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.877 0.37 . . . . 0.99 111.36 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 76' ' ' PHE . . . -72.25 -4.77 31.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.209 -0.451 . . . . 1.56 112.104 -175.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.587 ' HA ' ' CG ' ' B' ' 17' ' ' ASN . 6.4 t -76.23 -13.88 60.16 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.509 -0.476 . . . . 2.33 110.357 176.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.1 -87.21 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.909 -0.662 . . . . 2.59 111.928 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.172 -0.677 . . . . 4.41 109.172 179.327 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.295 -0.261 . . . . 3.68 110.295 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 53.5 m-20 -114.34 77.99 1.11 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.954 0.407 . . . . 2.42 110.932 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.587 ' CG ' ' HA ' ' A' ' 81' ' ' THR . 8.1 t30 -77.5 -5.41 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.613 0.72 . . . . 2.52 109.723 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 22.4 mmtp -56.42 -28.71 60.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.962 -1.017 . . . . 1.89 111.167 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' B' ' 16' ' ' ASP . 4.3 ptpp? -64.07 -47.19 81.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 1.49 111.259 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.463 ' HD2' ' OD1' ' B' ' 17' ' ' ASN . 89.1 mtt180 -65.1 -30.0 70.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.398 0.618 . . . . 2.34 109.814 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.522 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 21.9 tp -58.85 -56.03 27.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.14 -0.936 . . . . 0.7 110.213 174.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.1 97.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.83 111.138 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.8 -51.61 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.745 -0.662 . . . . 2.99 111.364 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.608 ' HB1' ' HD3' ' B' ' 73' ' ' PRO . . . -65.34 -34.33 78.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.161 0.505 . . . . 1.14 111.341 -177.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 21' ' ' LEU . 79.2 mt -63.47 -46.82 94.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.462 -0.79 . . . . 0.97 109.687 175.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.25 -46.28 56.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.963 -0.562 . . . . 0.78 110.487 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -63.01 -53.6 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.321 -0.854 . . . . 1.58 112.19 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.551 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 74.6 t80 -67.59 -48.56 66.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.73 0.3 . . . . 1.98 111.025 -176.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.613 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.4 mp -59.28 -33.59 71.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 0.7 111.116 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -55.27 -58.27 8.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 1.41 110.913 176.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.12 -40.38 71.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 1.98 111.26 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.21 -38.14 79.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.253 0.549 . . . . 1.93 110.305 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.677 HD21 ' O ' ' B' ' 43' ' ' GLN . 1.3 tm? -64.76 -44.07 91.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.533 -0.758 . . . . 1.22 110.271 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -81.09 -2.88 50.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.927 -0.579 . . . . 3.5 111.076 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -98.41 -5.79 31.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 2.69 110.4 174.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.77 37.78 61.11 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.79 -0.641 . . . . 0.53 112.185 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.94 -54.9 33.78 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.207 -0.52 . . . . 0.53 112.844 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.487 HD23 HD11 ' B' ' 46' ' ' LEU . 3.0 mm? -92.65 -177.49 4.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.471 0.177 . . . . 0.83 110.607 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -73.61 -179.77 3.72 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.658 -0.246 . . . . 1.42 110.941 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.7 t -64.79 -53.71 42.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.541 0.21 . . . . 1.63 111.35 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.83 -42.83 94.43 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.423 0.63 . . . . 2.21 110.151 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.653 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -66.65 -34.58 78.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.031 -0.986 . . . . 0.54 111.027 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.677 ' O ' HD21 ' B' ' 33' ' ' LEU . 9.0 tt0 -58.65 -51.32 70.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.503 -0.771 . . . . 1.57 110.495 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.43 -32.19 69.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.89 -0.595 . . . . 2.36 110.646 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.1 t -73.74 -35.59 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.632 -0.713 . . . . 1.04 111.506 -175.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.664 HD12 HD23 ' B' ' 33' ' ' LEU . 16.7 mt -61.7 -45.73 92.72 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 120.802 -0.359 . . . . 1.28 110.087 176.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.32 -46.59 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.455 -0.793 . . . . 1.75 110.616 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.07 -44.31 88.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.054 -0.521 . . . . 0.49 110.302 177.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.61 78.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.915 -0.584 . . . . 0.48 111.601 -178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 46' ' ' LEU . 86.3 mt -56.79 -55.54 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.746 0.308 . . . . 0.62 110.789 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -62.02 -35.21 77.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 1.84 111.454 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 74.0 m -65.31 -49.26 70.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.489 -0.323 . . . . 0.69 110.912 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.24 -41.23 99.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.626 0.25 . . . . 0.76 110.835 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -56.46 -52.93 62.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.024 -0.534 . . . . 1.66 110.608 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.5 m -68.11 -32.11 72.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.744 -0.662 . . . . 1.15 111.248 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.623 ' O ' ' HB1' ' A' ' 42' ' ' ALA . . . -73.79 -43.41 58.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.175 -0.466 . . . . 1.14 112.249 -175.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -82.89 -20.18 35.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.077 0.465 . . . . 2.06 110.756 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.38 33.03 40.7 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.638 -0.71 . . . . 2.6 111.803 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 28.1 m -109.07 158.11 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.764 0.316 . . . . 1.35 111.251 -175.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -141.39 -171.1 3.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.843 -0.617 . . . . 2.38 110.058 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.7 p -62.64 -15.16 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.263 0.554 . . . . 2.21 111.004 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.16 -23.62 67.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.193 0.52 . . . . 4.0 110.325 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -71.5 -23.79 61.86 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.231 -0.655 . . . . 3.62 109.231 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 9.8 t -71.61 -26.94 62.79 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.752 -0.658 . . . . 2.92 109.739 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.1 -41.35 95.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.971 -0.559 . . . . 3.46 110.028 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -95.65 25.65 4.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 1.87 111.093 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.12 159.58 14.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.324 0.583 . . . . 1.54 111.761 -178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.511 HD12 HD21 ' B' ' 72' ' ' LEU . 92.8 mt -86.35 158.29 55.06 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.585 -0.734 . . . . 1.56 110.718 -178.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -43.13 -49.38 7.2 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.205 2.603 . . . . 2.75 113.303 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -112.35 173.01 6.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 2.76 109.799 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 33.0 p -81.73 145.11 30.67 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.31 0.576 . . . . 1.55 109.843 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' B' ' 24' ' ' ALA . 3.5 mm? -70.55 -42.88 15.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.624 -0.716 . . . . 1.79 111.655 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.608 ' HD3' ' HB1' ' B' ' 24' ' ' ALA . 91.1 Cg_exo -42.6 -41.97 8.25 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.473 2.115 . . . . 1.06 112.706 170.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.51 -43.79 92.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 2.27 110.663 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.503 HD12 HD13 ' B' ' 72' ' ' LEU . 44.9 mt -63.38 -35.76 73.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.192 0.52 . . . . 1.37 110.021 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.58 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 19.3 m-30 -66.76 -27.5 67.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.642 -0.708 . . . . 2.37 110.987 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.2 mt-10 -83.36 -29.13 28.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.958 0.409 . . . . 2.51 110.8 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.431 ' O ' HG22 ' B' ' 81' ' ' THR . . . -88.05 -62.48 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.25 0.463 . . . . 0.64 112.25 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.97 -45.27 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.916 0.388 . . . . 0.99 111.391 -174.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.58 ' HB3' ' HA ' ' B' ' 76' ' ' PHE . . . -69.7 -9.46 54.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.011 -0.541 . . . . 1.55 112.193 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.559 ' HA ' ' CG ' ' A' ' 17' ' ' ASN . 6.0 t -73.23 -13.92 61.24 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.542 -0.463 . . . . 2.33 110.667 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.26 -87.12 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.798 -0.715 . . . . 2.59 112.059 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm . . . . . 0 C--O 1.244 0.804 0 N-CA-C 109.094 -0.706 . . . . 4.4 109.094 179.325 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.4 ' N ' ' SD ' ' A' ' 15' ' ' MET . 1.7 mpt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.929 -0.397 . . . . 3.68 109.929 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.81 114.72 17.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 2.4 110.601 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.15 -24.93 54.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.298 -0.41 . . . . 2.52 110.078 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -51.32 -46.67 62.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.833 -0.621 . . . . 1.9 111.645 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HB2' HG12 ' A' ' 59' ' ' VAL . 13.3 ptmm? -71.09 -42.49 69.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.434 . . . . 1.49 111.453 -176.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.79 -33.94 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.098 0.475 . . . . 2.34 110.615 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.1 tp -58.16 -50.35 73.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.605 -0.725 . . . . 0.7 110.492 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.492 ' HB2' ' CD1' ' A' ' 57' ' ' PHE . . . -61.31 -49.86 75.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.83 110.837 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 22.1 t80 -55.36 -48.15 74.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.815 -0.629 . . . . 2.99 111.622 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.687 ' HB2' HD23 ' A' ' 72' ' ' LEU . . . -58.9 -42.84 90.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.056 -0.52 . . . . 1.14 111.294 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.0 mt -69.32 -36.48 72.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.55 -0.75 . . . . 0.97 110.311 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 22' ' ' ALA . 52.0 mt -57.18 -49.64 79.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 0.78 110.928 174.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.497 ' O ' ' HB3' ' A' ' 30' ' ' HIS . 15.7 mm100 -71.33 -37.65 71.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 1.58 111.769 -176.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.422 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 65.2 t80 -70.13 -48.27 58.19 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.697 -0.401 . . . . 1.98 110.547 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.5 mp -66.56 -23.92 66.28 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.299 -0.41 . . . . 0.7 110.559 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.497 ' HB3' ' O ' ' A' ' 27' ' ' GLN . 29.8 t-80 -57.6 -55.38 35.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.263 0.554 . . . . 1.41 110.72 173.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.15 -39.32 49.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.829 -0.623 . . . . 1.98 110.977 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -59.75 -30.5 68.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 1.92 110.385 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.687 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -64.0 -50.44 68.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 1.22 109.868 177.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -71.68 -25.33 62.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.72 . . . . 3.49 111.215 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -85.13 -10.93 56.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.738 0.304 . . . . 2.68 111.499 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.14 43.53 63.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.958 -0.639 . . . . 0.53 111.961 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.43 -45.55 92.84 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.426 -0.416 . . . . 0.52 113.542 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.77 -106.13 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.934 0.367 . . . . 0.83 111.57 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.596 ' H ' ' HB3' ' A' ' 42' ' ' ALA . 22.7 t -141.71 -177.12 5.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.669 -0.242 . . . . 1.42 110.363 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.5 t -65.63 -55.91 15.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.653 0.264 . . . . 1.63 111.061 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.04 -27.09 68.87 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.207 0.527 . . . . 2.2 110.53 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.596 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -72.67 -35.22 67.64 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.723 -0.672 . . . . 0.54 110.824 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.499 ' O ' HD21 ' A' ' 33' ' ' LEU . 15.9 mt-30 -57.97 -62.38 1.86 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.995 -0.548 . . . . 1.56 111.427 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.37 -34.78 58.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.938 -0.573 . . . . 2.36 111.271 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.2 m -67.46 -39.16 85.3 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.655 -0.248 . . . . 1.04 111.145 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.636 ' HB2' HD23 ' A' ' 33' ' ' LEU . 36.3 mt -61.71 -48.51 80.43 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 110.075 -0.343 . . . . 1.28 110.075 177.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.16 -44.52 83.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 1.76 110.851 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.69 -45.11 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.374 -0.375 . . . . 0.49 110.45 177.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.56 92.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.48 111.37 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 46' ' ' LEU . 87.5 mt -55.92 -48.6 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.317 -0.402 . . . . 0.61 110.448 177.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -67.89 -37.68 82.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.018 -0.537 . . . . 1.84 110.882 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.0 m -64.52 -47.73 77.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.323 -0.398 . . . . 0.69 110.89 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.8 -31.45 72.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.605 -0.27 . . . . 0.76 110.716 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.68 -55.07 39.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 1.65 110.218 176.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.2 m -69.79 -30.16 67.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.198 -0.456 . . . . 1.16 111.012 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.05 -61.76 2.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 1.15 111.74 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 22' ' ' ALA . 92.3 m-85 -79.97 -12.0 59.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.124 0.487 . . . . 2.05 110.883 -178.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.74 38.71 49.78 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.533 -0.758 . . . . 2.6 111.401 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.417 HG12 ' HB2' ' A' ' 19' ' ' LYS . 26.8 m -101.23 155.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.922 0.391 . . . . 1.35 111.456 -174.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.1 p -141.21 -170.81 3.14 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.637 -0.71 . . . . 2.38 109.745 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.83 -9.28 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.49 0.662 . . . . 2.21 110.673 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.18 -28.32 69.58 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.27 0.557 . . . . 4.01 110.025 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -69.39 -23.1 63.68 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 115.686 -0.688 . . . . 3.62 109.497 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 8.5 t -70.89 -31.87 68.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.89 -0.596 . . . . 2.91 109.986 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -68.39 -28.99 67.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.501 . . . . 3.46 110.852 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 pp -106.07 23.22 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.336 -0.393 . . . . 1.87 110.933 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.68 145.06 55.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 1.53 112.127 -175.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.437 HD12 HD21 ' A' ' 72' ' ' LEU . 94.1 mt -72.48 155.39 91.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.256 -0.884 . . . . 1.55 109.784 175.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -45.27 -48.1 11.86 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.813 3.009 . . . . 2.74 113.676 -173.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -120.49 169.44 10.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.658 -0.246 . . . . 2.75 110.412 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -69.56 140.13 53.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.263 0.554 . . . . 1.55 110.094 174.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.687 HD23 ' HB2' ' A' ' 24' ' ' ALA . 3.5 mm? -80.33 -35.38 0.88 Allowed Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 114.024 1.12 . . . . 1.79 114.024 -172.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 83.8 Cg_exo -48.33 -35.52 27.78 Favored 'Trans proline' 0 C--N 1.355 0.897 0 CA-C-N 121.068 1.417 . . . . 1.07 112.652 172.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.37 -43.94 80.18 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.975 0.417 . . . . 2.28 110.174 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.28 -40.55 78.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.864 -0.607 . . . . 1.38 110.159 173.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 73' ' ' PRO . 14.2 m-30 -61.9 -43.11 99.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.804 -0.634 . . . . 2.36 110.454 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 47.5 mt-10 -61.44 -26.96 68.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.94 0.4 . . . . 2.52 111.071 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.78 -49.03 7.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.65 111.818 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.55 -45.14 12.89 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.542 0.571 . . . . 0.99 112.542 -172.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -65.44 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.323 -0.399 . . . . 1.56 111.813 -171.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.2 t -85.95 5.14 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.906 0.384 . . . . 2.33 110.656 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.22 -22.3 63.28 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.893 -0.67 . . . . 2.59 112.249 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 119.108 -0.472 . . . . 4.41 110.236 179.839 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' B' ' 15' ' ' MET . 1.7 mpt? . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.937 -0.394 . . . . 3.68 109.937 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.84 114.86 18.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.305 -0.407 . . . . 2.42 110.654 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -76.59 -24.74 53.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.302 -0.408 . . . . 2.52 109.976 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -51.31 -46.67 62.62 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.758 -0.655 . . . . 1.89 111.551 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.421 ' HB2' HG12 ' B' ' 59' ' ' VAL . 13.2 ptmm? -71.25 -42.36 68.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 1.49 111.438 -176.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.88 -33.87 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.057 0.456 . . . . 2.34 110.577 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 17.9 tp -58.22 -50.24 74.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.632 -0.713 . . . . 0.7 110.393 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.489 ' HB2' ' CD1' ' B' ' 57' ' ' PHE . . . -61.45 -49.76 75.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.959 -0.564 . . . . 0.83 110.75 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 21.7 t80 -55.48 -48.09 75.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.875 -0.602 . . . . 2.99 111.562 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.68 ' HB2' HD23 ' B' ' 72' ' ' LEU . . . -58.95 -42.81 90.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.196 0.522 . . . . 1.14 111.295 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.41 -36.46 71.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.488 -0.778 . . . . 0.97 110.317 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.445 HG13 ' O ' ' B' ' 22' ' ' ALA . 51.4 mt -57.2 -49.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 0.78 110.934 174.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.496 ' O ' ' HB3' ' B' ' 30' ' ' HIS . 15.7 mm100 -71.38 -37.7 71.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.404 -0.362 . . . . 1.58 111.791 -176.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.425 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 65.5 t80 -70.1 -48.32 58.12 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.776 -0.37 . . . . 1.98 110.511 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.659 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.5 mp -66.57 -23.75 66.25 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.344 -0.389 . . . . 0.7 110.601 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' B' ' 27' ' ' GLN . 30.2 t-80 -57.77 -55.36 35.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.227 0.537 . . . . 1.41 110.697 173.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.05 -39.41 50.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.875 -0.602 . . . . 1.98 110.838 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -59.74 -30.49 68.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.173 0.511 . . . . 1.93 110.505 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.659 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 1.0 OUTLIER -63.93 -50.59 68.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.741 -0.663 . . . . 1.22 109.869 177.458 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -71.48 -25.36 62.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.552 -0.749 . . . . 3.5 111.187 -177.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -85.1 -11.21 55.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.712 0.291 . . . . 2.69 111.441 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.77 42.56 61.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.946 -0.645 . . . . 0.53 112.005 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.01 -45.31 92.49 Favored Glycine 0 C--N 1.329 0.182 0 C-N-CA 121.426 -0.416 . . . . 0.53 113.552 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.74 -107.12 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.857 0.328 . . . . 0.83 111.529 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.586 ' H ' ' HB3' ' B' ' 42' ' ' ALA . 22.2 t -140.17 -176.77 4.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.644 -0.253 . . . . 1.42 110.57 -177.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.7 t -65.84 -55.76 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.685 0.279 . . . . 1.63 111.021 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.11 -27.16 68.9 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.226 0.536 . . . . 2.21 110.543 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.586 ' HB3' ' H ' ' B' ' 39' ' ' SER . . . -72.56 -35.19 67.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.712 -0.676 . . . . 0.54 110.832 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.501 ' O ' HD21 ' B' ' 33' ' ' LEU . 15.9 mt-30 -58.14 -62.32 1.91 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.028 -0.533 . . . . 1.57 111.418 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -53.28 -34.85 58.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.065 -0.516 . . . . 2.36 111.357 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.6 m -67.19 -39.31 86.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.626 -0.261 . . . . 1.04 111.186 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.631 ' HB2' HD23 ' B' ' 33' ' ' LEU . 35.6 mt -61.74 -48.44 80.69 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 110.098 -0.334 . . . . 1.28 110.098 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.15 -44.64 83.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.055 -0.521 . . . . 1.75 110.947 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 81.5 t -66.66 -45.07 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.49 110.45 177.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.58 92.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.302 -0.408 . . . . 0.48 111.405 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 46' ' ' LEU . 88.0 mt -55.82 -48.61 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.62 110.517 177.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -67.81 -37.8 82.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 1.84 110.834 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.4 m -64.67 -47.48 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.69 110.922 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.97 -31.39 71.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.709 0.29 . . . . 0.76 110.679 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -58.76 -55.05 40.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 1.66 110.307 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.8 m -69.82 -30.11 67.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 1.15 110.926 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.41 ' HB1' HD21 ' A' ' 46' ' ' LEU . . . -60.0 -61.87 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 1.14 111.774 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' B' ' 22' ' ' ALA . 92.5 m-85 -80.05 -11.58 59.76 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.021 0.439 . . . . 2.06 110.851 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.49 38.81 51.65 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.62 -0.718 . . . . 2.6 111.386 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' B' ' 19' ' ' LYS . 27.1 m -101.49 155.79 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.093 0.473 . . . . 1.35 111.404 -174.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.2 p -141.25 -171.51 3.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.417 -0.811 . . . . 2.38 109.802 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.9 p -68.2 -9.27 10.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.524 0.678 . . . . 2.21 110.786 176.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -62.18 -28.28 69.56 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.302 0.572 . . . . 4.0 110.045 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.59 -22.98 63.47 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 115.631 -0.713 . . . . 3.62 109.439 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.423 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 8.6 t -70.87 -32.15 69.06 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.873 -0.603 . . . . 2.92 109.997 178.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -68.02 -29.11 68.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 3.46 110.822 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 pp -106.02 23.21 14.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.967 0.413 . . . . 1.87 110.886 176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.57 144.89 55.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.856 -0.611 . . . . 1.54 112.226 -175.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.435 HD12 HD21 ' B' ' 72' ' ' LEU . 93.6 mt -72.3 155.26 91.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.204 -0.907 . . . . 1.56 109.833 175.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -45.24 -47.83 12.13 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.832 3.021 . . . . 2.75 113.822 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -120.76 169.52 10.33 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.383 -0.228 . . . . 2.76 110.383 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.1 p -69.93 143.56 52.67 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.3 0.572 . . . . 1.55 109.576 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.68 HD23 ' HB2' ' B' ' 24' ' ' ALA . 3.5 mm? -82.68 -35.5 0.68 Allowed Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 113.82 1.044 . . . . 1.79 113.82 -172.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.494 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 81.0 Cg_exo -48.31 -35.35 27.2 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.401 1.401 . . . . 1.06 112.625 172.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.58 -43.9 79.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.874 0.368 . . . . 2.27 110.135 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mm -58.28 -40.52 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 115.948 -0.569 . . . . 1.37 110.218 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' B' ' 73' ' ' PRO . 14.3 m-30 -61.97 -43.03 99.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.806 -0.634 . . . . 2.37 110.427 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 47.8 mt-10 -61.55 -27.19 68.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.802 0.334 . . . . 2.51 110.997 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.34 -49.02 7.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.297 -0.41 . . . . 0.64 111.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.48 -45.19 12.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.407 0.521 . . . . 0.99 112.407 -172.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.1 -64.09 0.98 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.957 0.355 . . . . 1.55 111.957 -170.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.5 t -86.79 4.79 39.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.992 0.425 . . . . 2.33 110.638 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.09 -22.21 63.79 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.066 -0.588 . . . . 2.59 112.284 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.247 0.959 0 CA-C-O 119.113 -0.47 . . . . 4.4 110.158 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.781 0.324 . . . . 3.68 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -88.86 132.11 34.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.205 0.526 . . . . 2.4 110.234 177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.567 HD21 ' HB3' ' B' ' 80' ' ' ALA . 22.2 t-20 -82.89 -35.18 26.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.547 -0.752 . . . . 2.52 111.259 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.518 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 3.1 mppt? -62.45 -32.67 73.58 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.552 0.575 . . . . 1.9 112.552 -170.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -65.46 -39.08 91.57 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.91 -0.316 . . . . 1.49 111.04 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' NH2' ' HA ' ' B' ' 81' ' ' THR . 35.4 mtm180 -74.72 -32.97 62.29 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.451 -0.574 . . . . 2.34 109.451 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.518 ' HB3' ' HA ' ' A' ' 18' ' ' LYS . 9.5 tp -54.31 -50.04 68.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.987 -1.006 . . . . 0.7 110.084 172.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.621 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -56.7 -53.38 58.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.534 -0.757 . . . . 0.83 111.116 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 29.9 t80 -55.33 -44.49 75.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 2.99 111.504 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.667 ' HB2' HD23 ' A' ' 72' ' ' LEU . . . -59.73 -42.46 93.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.169 0.509 . . . . 1.14 111.087 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.478 HG23 HD13 ' A' ' 29' ' ' LEU . 74.0 mt -69.94 -37.65 73.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.388 -0.824 . . . . 0.97 110.4 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 61.5 mt -54.63 -49.42 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.78 110.547 174.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -68.6 -51.19 45.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.416 -0.357 . . . . 1.58 111.879 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.19 -48.72 80.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 1.98 110.933 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.9 mp -69.26 -27.32 65.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.583 -0.28 . . . . 0.7 111.361 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 50.3 t-80 -67.13 -48.86 66.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.393 . . . . 1.41 110.21 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -69.36 -43.67 73.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.986 -0.552 . . . . 1.98 110.555 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.873 -0.603 . . . . 1.92 110.444 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' A' ' 46' ' ' LEU . 1.5 tm? -62.39 -52.83 62.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 1.22 109.782 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -69.13 -30.57 68.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 3.49 110.512 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -76.05 -24.79 55.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 2.68 111.048 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.64 39.74 8.07 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.154 -0.545 . . . . 0.53 112.279 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.91 -42.58 99.65 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.169 -0.539 . . . . 0.52 113.504 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.512 HD23 HD11 ' A' ' 46' ' ' LEU . 3.4 mm? -104.06 -173.96 2.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.815 0.307 . . . . 0.83 110.77 -177.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -77.65 -171.78 2.33 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.55 -0.296 . . . . 1.42 111.028 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.9 m -67.87 -58.81 3.96 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.104 0.409 . . . . 1.63 112.104 -173.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -62.84 -35.29 79.47 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.465 0.65 . . . . 2.2 109.847 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.14 -36.91 85.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.048 -0.978 . . . . 0.54 110.889 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.466 ' O ' HD21 ' A' ' 33' ' ' LEU . 25.4 tt0 -61.4 -51.26 69.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.627 . . . . 1.56 109.856 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.31 -37.98 73.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.527 -0.76 . . . . 2.36 110.432 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m -66.96 -31.8 72.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.583 -0.735 . . . . 1.04 111.812 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.671 ' HB2' HD23 ' A' ' 33' ' ' LEU . 20.3 mt -61.93 -53.34 57.07 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 121.04 -0.264 . . . . 1.28 110.662 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 39.5 tt0 -55.44 -44.84 76.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.941 -0.572 . . . . 1.76 110.827 -176.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.1 t -61.84 -47.72 91.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.49 110.509 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.52 96.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.017 -0.538 . . . . 0.48 111.393 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 46' ' ' LEU . 83.9 mt -56.19 -50.7 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.61 110.735 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 73.3 mm-40 -64.56 -37.17 86.63 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.215 0.531 . . . . 1.84 110.851 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 72.5 m -68.19 -48.18 65.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.817 -0.629 . . . . 0.69 111.282 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.3 -35.57 81.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.563 0.221 . . . . 0.76 110.88 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -57.42 -51.24 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 1.65 109.868 175.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.9 m -67.63 -34.3 76.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.521 -0.763 . . . . 1.16 110.907 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.8 -63.67 1.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.647 -0.706 . . . . 1.15 112.165 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.621 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 96.3 m-85 -77.04 -2.53 34.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.839 0.352 . . . . 2.05 111.22 -176.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.71 34.83 66.69 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.105 -0.569 . . . . 2.6 111.743 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -100.29 152.99 4.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.062 0.458 . . . . 1.35 110.842 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.3 p -137.06 -170.06 2.63 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.759 -0.655 . . . . 2.38 109.75 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 64' ' ' SER . 14.5 p -69.54 -12.48 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 121.796 0.808 . . . . 2.21 110.267 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -63.17 -31.08 72.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.513 0.673 . . . . 4.01 109.446 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' HA ' ' HG ' ' A' ' 66' ' ' LEU . 8.2 m-20 -75.62 -8.0 55.69 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.397 -0.82 . . . . 3.62 110.241 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 22.9 t -80.33 -29.35 38.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.131 -0.692 . . . . 2.91 109.131 173.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.73 -41.42 92.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 3.46 110.641 175.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 63' ' ' ASP . 3.2 pp -90.34 28.96 1.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.116 0.484 . . . . 1.87 111.407 178.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.6 160.63 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.836 -0.62 . . . . 1.53 111.665 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.54 HD12 HD21 ' A' ' 72' ' ' LEU . 84.8 mt -97.15 158.94 32.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.608 -0.724 . . . . 1.55 110.016 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -43.0 -49.3 7.07 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.584 2.856 . . . . 2.74 114.143 -175.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -123.67 177.11 5.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.175 -0.306 . . . . 2.75 110.175 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.5 p -70.72 142.1 51.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.237 0.541 . . . . 1.55 109.598 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.667 HD23 ' HB2' ' A' ' 24' ' ' ALA . 3.9 mm? -76.59 -34.87 1.4 Allowed Pre-proline 0 C--N 1.321 -0.662 0 CA-C-O 118.531 -0.747 . . . . 1.79 112.671 -176.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.438 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 68.1 Cg_exo -48.0 -31.05 15.08 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.382 1.388 . . . . 1.07 112.604 168.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' HG2' ' A' ' 77' ' ' GLU . 31.9 tt0 -74.89 -35.19 62.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.489 0.661 . . . . 2.28 110.147 176.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.7 mm -63.42 -40.11 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.367 -0.605 . . . . 1.38 109.367 172.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 11.0 m-30 -66.2 -45.12 81.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.22 -0.9 . . . . 2.36 110.698 -177.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' A' ' 74' ' ' GLU . 12.5 pt-20 -64.48 -19.1 65.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.844 0.354 . . . . 2.52 110.923 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.94 -63.56 1.28 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.418 -0.356 . . . . 0.65 111.121 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -50.1 38.26 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.259 0.466 . . . . 0.99 112.259 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.537 ' HB3' HD21 ' B' ' 17' ' ' ASN . . . -72.98 -11.65 60.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.912 -0.585 . . . . 1.56 111.541 -173.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.434 ' HA ' ' NH2' ' B' ' 20' ' ' ARG . 42.1 m -99.85 -18.36 17.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.282 0.563 . . . . 2.33 110.208 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.81 46.9 2.72 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.935 -0.65 . . . . 2.59 112.798 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.3 tttt . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.503 -0.761 . . . . 4.41 109.691 176.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 21.9 ptp . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.728 0.299 . . . . 3.68 110.204 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -88.96 132.15 34.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.158 0.504 . . . . 2.42 110.217 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.537 HD21 ' HB3' ' A' ' 80' ' ' ALA . 22.0 t-20 -83.01 -35.08 26.1 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.561 -0.745 . . . . 2.52 111.157 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.498 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 3.1 mppt? -62.61 -32.76 73.83 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.44 0.533 . . . . 1.89 112.44 -170.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -65.25 -39.27 92.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.018 -0.273 . . . . 1.49 111.008 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.434 ' NH2' ' HA ' ' A' ' 81' ' ' THR . 35.3 mtm180 -74.58 -33.13 62.58 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.424 -0.584 . . . . 2.34 109.424 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' B' ' 18' ' ' LYS . 9.5 tp -54.21 -50.1 67.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.985 -1.007 . . . . 0.7 110.133 172.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.623 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -56.62 -53.38 58.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.647 -0.706 . . . . 0.83 111.123 177.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.583 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 30.0 t80 -55.29 -44.58 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 2.99 111.431 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.668 ' HB2' HD23 ' B' ' 72' ' ' LEU . . . -59.68 -42.39 92.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.217 0.532 . . . . 1.14 111.106 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.471 HG23 HD13 ' B' ' 29' ' ' LEU . 74.2 mt -70.03 -37.58 72.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.435 -0.802 . . . . 0.97 110.409 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' B' ' 30' ' ' HIS . 61.3 mt -54.61 -49.6 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.78 110.43 174.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -68.45 -51.39 44.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 1.58 111.774 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.0 -48.87 79.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 1.98 110.892 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.593 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.9 mp -69.08 -27.36 65.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.602 -0.272 . . . . 0.7 111.423 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' B' ' 26' ' ' ILE . 50.2 t-80 -67.17 -48.84 66.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.938 0.399 . . . . 1.41 110.265 177.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.15 -43.94 73.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.045 -0.525 . . . . 1.98 110.537 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -61.8 -29.1 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.843 -0.617 . . . . 1.93 110.5 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' B' ' 46' ' ' LEU . 1.5 tm? -62.28 -52.95 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.634 -0.712 . . . . 1.22 109.643 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -69.02 -30.7 69.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.57 -0.741 . . . . 3.5 110.531 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -75.9 -25.08 55.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.86 -0.609 . . . . 2.69 111.017 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.88 39.69 7.97 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 121.127 -0.558 . . . . 0.53 112.264 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.12 -42.1 99.58 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.236 -0.507 . . . . 0.53 113.591 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.525 HD23 HD11 ' B' ' 46' ' ' LEU . 3.5 mm? -104.49 -173.95 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.872 0.336 . . . . 0.83 110.709 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -77.42 -171.89 2.29 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.47 -0.332 . . . . 1.42 110.954 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.9 m -67.87 -59.02 3.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.108 0.41 . . . . 1.63 112.108 -173.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -62.78 -35.26 79.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.551 0.691 . . . . 2.21 109.867 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.9 85.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.017 -0.992 . . . . 0.54 110.902 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.464 ' O ' HD21 ' B' ' 33' ' ' LEU . 25.4 tt0 -61.32 -51.46 68.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.626 . . . . 1.57 109.808 178.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -57.22 -37.89 72.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.669 -0.696 . . . . 2.36 110.504 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.5 m -66.92 -31.97 72.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.595 -0.73 . . . . 1.04 111.895 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.699 ' HB2' HD23 ' B' ' 33' ' ' LEU . 20.3 mt -61.74 -53.56 54.43 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 121.066 -0.253 . . . . 1.28 110.609 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 40.0 tt0 -55.28 -44.86 76.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.959 -0.564 . . . . 1.75 110.873 -176.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.78 -47.87 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.49 110.437 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.55 96.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.546 . . . . 0.48 111.431 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 46' ' ' LEU . 83.6 mt -56.14 -50.75 68.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.62 110.8 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 73.7 mm-40 -64.7 -37.27 87.01 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.031 -0.531 . . . . 1.84 110.731 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 72.3 m -68.04 -48.12 66.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.902 -0.59 . . . . 0.69 111.282 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.27 -35.66 81.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.703 0.287 . . . . 0.76 110.853 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -57.4 -51.33 69.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.23 0.538 . . . . 1.66 109.972 175.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.9 m -67.28 -34.7 77.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.543 -0.753 . . . . 1.15 110.849 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.48 -63.75 1.17 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.642 -0.708 . . . . 1.14 112.237 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.623 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 96.3 m-85 -76.92 -2.67 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.869 0.366 . . . . 2.06 111.259 -176.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.83 34.65 65.94 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.112 -0.566 . . . . 2.6 111.836 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.1 m -100.06 153.22 4.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.058 0.456 . . . . 1.35 110.976 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -137.49 -171.15 2.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.613 -0.722 . . . . 2.38 109.718 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' B' ' 64' ' ' SER . 14.6 p -68.79 -12.41 15.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.773 0.797 . . . . 2.21 110.236 175.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -63.15 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.585 0.707 . . . . 4.0 109.419 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.401 ' HA ' ' HG ' ' B' ' 66' ' ' LEU . 8.5 m-20 -75.6 -7.88 55.37 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.377 -0.829 . . . . 3.62 110.231 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.583 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 22.8 t -80.48 -29.51 37.39 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.197 -0.668 . . . . 2.92 109.197 173.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.34 -41.67 93.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.94 -0.573 . . . . 3.46 110.708 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' B' ' 66' ' ' LEU . 3.2 pp -89.57 27.29 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.158 0.504 . . . . 1.87 111.452 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.34 160.66 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 1.54 111.769 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.512 HD12 HD21 ' B' ' 72' ' ' LEU . 85.1 mt -97.28 159.08 32.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.589 -0.732 . . . . 1.56 110.021 177.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -43.12 -49.26 7.28 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.679 2.919 . . . . 2.75 114.118 -175.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -123.97 176.73 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.066 -0.346 . . . . 2.76 110.066 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 73.4 p -70.55 144.59 51.23 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.298 -0.63 . . . . 1.55 109.298 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.668 HD23 ' HB2' ' B' ' 24' ' ' ALA . 3.9 mm? -78.49 -34.67 1.05 Allowed Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 118.642 -0.694 . . . . 1.79 112.61 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.435 ' HA ' ' CD2' ' B' ' 76' ' ' PHE . 67.4 Cg_exo -48.06 -31.13 15.49 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.426 1.418 . . . . 1.06 112.572 168.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' B' ' 77' ' ' GLU . 32.1 tt0 -74.9 -35.28 62.25 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.337 0.589 . . . . 2.27 110.11 176.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 22.6 mm -63.35 -40.03 87.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.384 0.611 . . . . 1.37 109.357 172.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 10.9 m-30 -66.26 -45.04 81.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.239 -0.892 . . . . 2.37 110.654 -177.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 74' ' ' GLU . 12.5 pt-20 -64.6 -19.26 65.56 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.764 -0.375 . . . . 2.51 110.876 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.48 -63.96 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.886 0.374 . . . . 0.64 111.107 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.96 40.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.32 0.489 . . . . 0.99 112.32 -174.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.567 ' HB3' HD21 ' A' ' 17' ' ' ASN . . . -72.78 -12.44 61.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.872 -0.604 . . . . 1.55 111.454 -173.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.448 ' HA ' ' NH2' ' A' ' 20' ' ' ARG . 45.2 m -99.52 -18.01 17.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 2.33 110.301 173.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.95 46.79 2.69 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.903 -0.665 . . . . 2.59 112.771 -175.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 77.2 tttt . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.378 -0.82 . . . . 4.4 109.867 177.058 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.598 0.237 . . . . 3.68 110.952 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.429 ' OD1' ' HG3' ' A' ' 19' ' ' LYS . 16.2 m-20 -83.34 75.86 9.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.122 0.487 . . . . 2.4 111.462 -173.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.89 -43.75 12.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.125 -0.489 . . . . 2.52 110.62 176.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -66.83 -43.28 84.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.98 0.419 . . . . 1.9 110.334 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.429 ' HG3' ' OD1' ' A' ' 16' ' ' ASP . 2.6 mmmm -59.25 -58.05 10.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.552 -0.749 . . . . 1.49 110.907 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -72.34 -19.48 61.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.163 -0.926 . . . . 2.34 110.997 -173.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.458 HD13 ' CE2' ' B' ' 76' ' ' PHE . 14.0 tp -59.61 -49.7 76.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.298 -0.63 . . . . 0.7 109.298 171.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.567 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -63.27 -50.12 71.37 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.466 -0.788 . . . . 0.83 110.561 178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.506 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -54.26 -48.29 71.33 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.277 0.36 . . . . 2.99 111.194 -177.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.443 ' HB1' ' HD3' ' A' ' 73' ' ' PRO . . . -67.11 -41.12 86.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.466 -0.334 . . . . 1.14 111.24 -175.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.56 -41.94 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.97 110.43 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 22' ' ' ALA . 90.3 mt -57.69 -50.62 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.655 0.265 . . . . 0.78 110.736 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -62.41 -46.96 86.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 1.58 111.662 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.33 -47.07 83.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.365 -0.38 . . . . 1.98 110.564 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.8 mp -72.15 -22.05 61.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.7 111.467 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -70.53 -46.97 62.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.021 -0.363 . . . . 1.41 110.021 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.69 -44.6 89.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 1.98 110.026 177.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.453 HE22 HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -60.78 -37.17 80.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 1.92 110.871 176.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.588 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.47 -48.02 76.79 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.573 -0.528 . . . . 1.22 109.573 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.03 -32.73 74.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.786 -0.643 . . . . 3.49 110.404 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -77.99 -20.89 51.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.753 -0.658 . . . . 2.68 111.496 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.19 43.71 12.88 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.063 -0.589 . . . . 0.53 111.96 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.78 -62.86 4.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.119 -0.562 . . . . 0.52 113.237 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.15 -178.51 6.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.868 0.366 . . . . 0.83 111.257 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -69.73 174.65 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 1.42 111.455 -177.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.3 t -60.85 -55.65 30.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.673 0.273 . . . . 1.63 111.228 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.8 -40.75 93.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 2.2 110.437 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.537 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -57.93 -47.2 83.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.7 -0.682 . . . . 0.54 110.908 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.414 ' HA ' HD21 ' A' ' 33' ' ' LEU . 27.7 mt-30 -53.58 -60.2 3.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.777 -0.647 . . . . 1.56 111.323 177.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -49.11 -43.25 41.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.228 -0.896 . . . . 2.36 111.259 176.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.8 m -67.65 -34.49 77.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 1.04 111.671 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 32.2 mt -65.52 -39.58 92.0 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 121.026 -0.27 . . . . 1.28 110.453 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.15 -40.33 77.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.17 0.509 . . . . 1.76 110.15 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.62 -48.65 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.777 -0.647 . . . . 0.49 110.218 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.79 -39.94 82.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.48 111.475 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 58.1 mt -55.74 -55.67 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.046 -0.525 . . . . 0.61 110.944 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.64 -32.97 74.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.688 0.28 . . . . 1.84 111.317 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.3 m -66.53 -51.44 56.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.335 -0.393 . . . . 0.69 110.948 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.64 -38.36 89.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.045 0.45 . . . . 0.76 110.301 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 42.3 tt0 -54.61 -53.2 57.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.33 -0.85 . . . . 1.65 110.507 176.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -70.26 -30.86 68.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.038 -0.528 . . . . 1.16 111.044 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -62.88 1.36 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 1.15 112.231 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 95.3 m-85 -75.21 -12.27 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.356 -0.383 . . . . 2.05 111.12 -175.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.56 28.43 47.61 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.77 -0.729 . . . . 2.6 111.643 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 27.0 m -103.48 152.21 6.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.394 -0.224 . . . . 1.35 110.394 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.528 ' OG1' ' HG2' ' A' ' 62' ' ' GLU . 12.7 p -141.98 -169.15 2.86 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.591 -0.522 . . . . 2.38 109.591 176.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -56.67 -27.28 25.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 120.836 0.351 . . . . 2.21 111.685 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.528 ' HG2' ' OG1' ' A' ' 60' ' ' THR . 12.7 pt-20 -65.24 -24.88 67.45 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.05 0.452 . . . . 4.01 110.675 178.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 2.9 t70 -75.71 -17.81 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.789 0.804 . . . . 3.62 109.051 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.506 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 36.6 t -81.86 -19.79 40.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.395 -0.82 . . . . 2.91 109.583 174.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -75.93 -27.2 57.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 3.46 110.895 176.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 2.2 pp -88.0 31.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.368 0.604 . . . . 1.87 109.935 172.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -47.54 150.18 1.02 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.592 -1.186 . . . . 1.53 113.124 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.9 mt -96.72 149.38 35.72 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 115.342 -0.844 . . . . 1.55 110.461 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -42.34 -51.58 4.84 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.422 2.748 . . . . 2.74 112.584 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.61 150.01 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.423 -0.808 . . . . 2.75 109.621 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.2 p -79.86 139.74 37.04 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.173 -0.677 . . . . 1.55 109.173 171.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.528 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 65.4 mt -79.97 -37.5 1.1 Allowed Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 113.466 0.913 . . . . 1.79 113.466 -168.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.588 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 52.5 Cg_exo -57.79 -31.01 91.17 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.151 1.234 . . . . 1.07 111.97 170.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -69.02 -47.53 65.22 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.924 -0.398 . . . . 2.28 109.924 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.6 mm -52.95 -42.9 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-O 121.462 0.648 . . . . 1.38 109.882 171.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 2.2 t80 -60.65 -36.92 79.86 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.973 -1.012 . . . . 2.36 110.826 -178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 45.9 mt-10 -65.53 -27.11 68.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.762 0.315 . . . . 2.52 111.098 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.69 -45.2 10.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.65 111.136 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.61 19.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.217 0.451 . . . . 0.99 112.217 -175.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.58 -8.43 55.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.599 0.592 . . . . 1.56 112.599 -170.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 p -93.75 5.35 51.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.241 0.543 . . . . 2.33 110.628 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.18 -124.21 0.77 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.24 -0.744 . . . . 2.59 111.24 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.247 0.967 0 CA-C-O 119.078 -0.487 . . . . 4.41 110.31 176.781 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.567 0.222 . . . . 3.68 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' B' ' 19' ' ' LYS . 15.8 m-20 -83.54 76.81 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.502 . . . . 2.42 111.153 -173.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.85 -44.14 12.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.158 -0.474 . . . . 2.52 110.654 176.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -66.85 -43.11 84.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.074 0.464 . . . . 1.89 110.382 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.411 ' HG3' ' OD1' ' B' ' 16' ' ' ASP . 2.5 mmmm -59.24 -58.25 9.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.515 -0.766 . . . . 1.49 110.872 -178.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 -72.2 -19.37 61.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.25 -0.886 . . . . 2.34 111.091 -173.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 76' ' ' PHE . 14.0 tp -59.74 -49.61 77.06 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.306 -0.628 . . . . 0.7 109.306 171.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.561 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -63.42 -49.97 71.65 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.426 -0.806 . . . . 0.83 110.521 178.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' B' ' 64' ' ' SER . 0.0 OUTLIER -54.26 -48.35 71.28 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.244 0.34 . . . . 2.99 111.169 -177.44 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.443 ' HB1' ' HD3' ' B' ' 73' ' ' PRO . . . -67.12 -41.2 86.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.458 -0.337 . . . . 1.14 111.113 -175.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 35.1 mt -67.64 -41.78 85.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.301 -0.408 . . . . 0.97 110.394 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.44 HG13 ' O ' ' B' ' 22' ' ' ALA . 90.6 mt -57.68 -50.8 76.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.61 0.243 . . . . 0.78 110.711 177.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -62.21 -47.15 85.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 1.58 111.606 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -63.17 -46.89 85.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.004 0.431 . . . . 1.98 110.651 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.8 mp -72.2 -22.15 61.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.234 -0.439 . . . . 0.7 111.517 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -70.38 -47.05 62.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.361 . . . . 1.41 110.132 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.71 -44.4 90.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 1.98 110.033 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.458 HE22 HD12 ' B' ' 46' ' ' LEU . 0.7 OUTLIER -61.06 -37.08 81.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.517 -0.765 . . . . 1.93 110.862 176.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -64.41 -48.02 76.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.633 -0.506 . . . . 1.22 109.633 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -63.03 -32.73 74.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 3.5 110.391 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -78.11 -21.0 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 2.69 111.391 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.84 42.52 12.79 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.936 -0.649 . . . . 0.53 112.052 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.17 -62.8 4.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.066 -0.587 . . . . 0.53 113.137 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.22 -178.41 6.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.818 0.342 . . . . 0.83 111.321 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.9 m -69.81 174.73 4.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 1.42 111.398 -177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -60.84 -55.69 30.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.703 0.287 . . . . 1.63 111.094 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -60.89 -40.5 93.27 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.228 -0.442 . . . . 2.21 110.531 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -58.1 -47.11 84.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.66 -0.7 . . . . 0.54 110.799 177.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.407 ' HA ' HD21 ' B' ' 33' ' ' LEU . 27.6 mt-30 -53.62 -60.1 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 1.57 111.358 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -49.31 -43.07 43.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.168 -0.924 . . . . 2.36 111.302 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 39.5 m -67.69 -34.59 77.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 1.04 111.664 -178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 31.8 mt -65.4 -39.51 92.29 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 121.024 -0.27 . . . . 1.28 110.504 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.28 -40.3 77.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.167 0.508 . . . . 1.75 110.075 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 23.5 t -69.67 -48.5 64.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.793 -0.639 . . . . 0.49 110.229 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.63 82.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.902 -0.59 . . . . 0.48 111.482 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 57.9 mt -55.89 -55.68 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 0.62 110.928 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.6 -33.05 74.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.571 -0.286 . . . . 1.84 111.336 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.7 m -66.44 -51.65 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.3 -0.409 . . . . 0.69 110.869 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.56 -38.32 89.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.072 0.463 . . . . 0.76 110.278 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 42.3 tt0 -54.68 -53.24 57.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.363 -0.835 . . . . 1.66 110.452 176.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.5 m -70.34 -30.61 67.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.022 -0.535 . . . . 1.15 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.98 -63.05 1.26 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.162 -0.472 . . . . 1.14 112.221 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 94.9 m-85 -75.08 -12.12 60.25 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.318 -0.401 . . . . 2.06 111.241 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.34 28.72 47.56 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.855 -0.688 . . . . 2.6 111.603 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 26.9 m -103.82 151.57 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.672 0.272 . . . . 1.35 110.382 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . 0.531 ' OG1' ' HG2' ' B' ' 62' ' ' GLU . 13.7 p -141.52 -170.46 3.1 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.621 -0.511 . . . . 2.38 109.621 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 p -55.61 -27.53 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 120.698 0.285 . . . . 2.21 111.741 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.531 ' HG2' ' OG1' ' B' ' 60' ' ' THR . 12.7 pt-20 -65.11 -24.74 67.51 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.015 0.436 . . . . 4.0 110.737 178.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.414 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 3.0 t70 -75.76 -17.89 59.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.829 0.823 . . . . 3.62 109.037 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 34.7 t -81.8 -19.89 40.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.404 -0.817 . . . . 2.92 109.594 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -75.83 -27.27 57.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 3.46 110.878 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 2.2 pp -86.91 28.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.302 0.572 . . . . 1.87 110.157 172.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' B' ' 64' ' ' SER . . . -45.58 149.81 0.55 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 114.658 -1.155 . . . . 1.54 113.372 -177.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 98.1 mt -96.51 149.43 35.83 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.28 -0.873 . . . . 1.56 110.546 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -43.01 -50.29 6.37 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.341 2.694 . . . . 2.75 112.855 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.42 150.07 24.86 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 2.76 109.511 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 10.6 p -79.73 143.28 34.66 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.703 -0.851 . . . . 1.55 108.703 171.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 67.3 mt -82.49 -37.57 0.78 Allowed Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 113.249 0.833 . . . . 1.79 113.249 -168.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.589 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 53.1 Cg_exo -57.8 -31.04 91.29 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.154 1.236 . . . . 1.06 111.999 170.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.04 -47.66 64.83 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.798 -0.445 . . . . 2.27 109.798 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 17.5 mm -52.86 -42.97 44.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.415 0.626 . . . . 1.37 109.842 171.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 2.2 t80 -60.54 -36.93 79.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.94 -1.027 . . . . 2.37 110.858 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.5 mt-10 -65.47 -27.75 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.665 0.269 . . . . 2.51 111.027 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.85 -45.16 10.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.962 0.411 . . . . 0.64 111.315 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.13 -50.72 18.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.217 0.451 . . . . 0.99 112.217 -175.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.26 -11.11 60.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.611 0.597 . . . . 1.55 112.611 -171.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 17.1 p -92.03 5.09 51.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.174 0.512 . . . . 2.33 110.767 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.78 -124.34 0.79 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.354 -0.699 . . . . 2.59 111.354 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.246 0.88 0 CA-C-O 119.354 -0.355 . . . . 4.4 110.154 176.502 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 90.7 mtp . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.103 -0.332 . . . . 3.68 110.103 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 17.7 m-20 -77.47 105.89 8.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.14 -0.482 . . . . 2.4 110.295 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -76.49 -14.3 60.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.41 0.624 . . . . 2.52 109.612 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -59.07 -35.92 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.326 -0.852 . . . . 1.9 111.103 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 16' ' ' ASP . 21.0 ptmt -70.67 -38.71 73.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.459 -0.337 . . . . 1.49 110.593 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' CZ ' HD21 ' A' ' 68' ' ' LEU . 37.1 mtm180 -73.56 -21.73 60.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.606 0.717 . . . . 2.34 110.037 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.557 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 30.5 tp -61.92 -39.53 92.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.209 -0.905 . . . . 0.7 109.704 171.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.664 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -64.82 -54.56 29.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.305 -0.861 . . . . 0.83 112.095 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' O ' ' HG2' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -58.02 -40.03 79.81 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.716 0.293 . . . . 2.99 110.466 -174.145 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HB1' ' HD3' ' A' ' 73' ' ' PRO . . . -64.32 -38.63 91.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.155 0.502 . . . . 1.14 110.873 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.09 -44.3 74.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.538 -0.755 . . . . 0.97 110.032 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.445 HG23 HG23 ' A' ' 50' ' ' ILE . 87.6 mt -56.14 -48.79 78.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.859 -0.61 . . . . 0.78 110.606 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 81.3 mm-40 -58.65 -43.69 89.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.771 -0.649 . . . . 1.58 111.632 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.541 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 40.6 t80 -71.68 -53.85 12.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.404 -0.362 . . . . 1.98 111.052 -178.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.63 -31.01 69.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.7 111.355 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -56.1 -57.08 13.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.147 0.499 . . . . 1.41 110.765 175.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.11 -34.91 64.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.845 -0.616 . . . . 1.98 110.805 -176.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -60.15 -41.01 91.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.987 0.422 . . . . 1.92 110.533 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.429 HD23 HD12 ' A' ' 46' ' ' LEU . 3.3 tm? -62.87 -45.49 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 1.22 109.735 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -66.62 -24.17 66.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.724 -0.671 . . . . 3.49 111.167 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -94.17 -2.94 51.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.452 -0.34 . . . . 2.68 111.351 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.64 41.86 98.93 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.991 -0.549 . . . . 0.53 112.438 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.45 -48.75 84.49 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.246 -0.502 . . . . 0.52 113.094 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.14 -176.25 4.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.5 0.191 . . . . 0.83 110.929 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 t -69.64 -176.66 1.07 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.583 -0.28 . . . . 1.42 111.119 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 11.4 p -62.78 -64.22 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.109 0.411 . . . . 1.63 112.109 -174.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.8 -32.7 74.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.267 0.556 . . . . 2.2 110.695 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.53 85.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.611 -0.722 . . . . 0.54 110.71 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 40' ' ' SER . 25.6 mt-30 -59.69 -57.24 13.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.696 -0.684 . . . . 1.56 110.939 174.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 48' ' ' VAL . 54.7 mm-40 -46.1 -41.02 11.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.379 -0.828 . . . . 2.36 111.143 174.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.4 m -66.12 -29.38 69.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.817 -0.629 . . . . 1.04 111.697 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.526 ' O ' HG13 ' A' ' 50' ' ' ILE . 46.2 mt -62.55 -53.17 58.6 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 110.185 -0.302 . . . . 1.28 110.185 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -55.25 -45.96 76.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 1.76 110.911 -176.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 44' ' ' GLU . 20.5 t -60.56 -49.13 85.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.49 110.359 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.36 96.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.861 -0.609 . . . . 0.48 111.285 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 46' ' ' LEU . 85.2 mt -56.37 -50.66 70.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.182 -0.463 . . . . 0.61 110.532 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -63.24 -41.71 99.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 1.84 110.698 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.64 -50.48 66.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.594 . . . . 0.69 111.501 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.4 mt -65.47 -35.41 80.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.54 0.21 . . . . 0.76 111.269 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.03 -53.41 58.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.14 0.495 . . . . 1.65 109.95 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.0 m -68.74 -33.92 74.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.519 -0.764 . . . . 1.16 111.1 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -58.6 -55.54 33.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 1.15 111.811 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.664 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 98.6 m-85 -81.29 -6.36 58.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.726 0.298 . . . . 2.05 111.106 -178.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.56 31.73 65.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.091 -0.575 . . . . 2.6 112.041 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.9 m -104.67 162.9 4.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.447 . . . . 1.35 111.187 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.1 p -140.64 -169.58 2.82 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.067 -0.716 . . . . 2.38 109.067 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.0 -21.54 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.415 0.626 . . . . 2.21 109.975 174.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HA ' ' OD2' ' A' ' 65' ' ' ASP . 31.8 mt-10 -64.11 -24.73 67.8 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.517 -0.765 . . . . 4.01 110.93 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -74.32 -23.22 59.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 3.62 109.322 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 13.9 t -80.46 -16.34 54.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.483 -0.781 . . . . 2.91 109.583 175.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.476 ' OD2' ' HA ' ' A' ' 62' ' ' GLU . 5.8 m-20 -71.69 -40.33 69.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.173 -0.467 . . . . 3.46 110.284 173.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -87.88 31.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.473 0.654 . . . . 1.87 110.32 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -50.21 152.84 1.62 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.685 -1.143 . . . . 1.53 113.375 -176.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.483 HD21 ' CZ ' ' A' ' 20' ' ' ARG . 88.3 mt -82.72 167.18 31.57 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 114.883 -1.053 . . . . 1.55 110.33 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 68' ' ' LEU . 5.5 Cg_exo -39.85 -48.62 3.64 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 123.695 2.93 . . . . 2.74 112.684 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -135.38 153.38 51.84 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.96 -0.756 . . . . 2.75 108.96 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -70.59 142.23 51.72 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.379 0.609 . . . . 1.55 110.027 176.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 73' ' ' PRO . 28.4 mt -66.93 -30.55 3.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 114.34 1.237 . . . . 1.79 114.34 -170.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.541 ' CG ' ' HB2' ' A' ' 28' ' ' PHE . 20.8 Cg_exo -36.58 -45.84 1.18 Allowed 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.777 2.318 . . . . 1.07 113.919 170.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 31.7 tt0 -72.77 -37.38 67.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.951 0.405 . . . . 2.28 110.626 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.8 mm -58.81 -38.68 73.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.003 0.43 . . . . 1.38 109.985 174.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.487 ' CD2' ' HA ' ' A' ' 73' ' ' PRO . 18.4 m-30 -60.18 -42.22 94.53 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.598 -0.728 . . . . 2.36 110.713 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 13.1 pt-20 -80.69 -24.83 38.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.751 0.31 . . . . 2.52 111.028 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.75 -64.43 1.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.273 0.472 . . . . 0.65 112.273 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.72 -27.98 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.949 0.405 . . . . 0.99 111.968 -171.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -75.89 -19.96 58.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.215 -0.448 . . . . 1.56 111.671 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -98.77 15.91 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.471 . . . . 2.33 110.817 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.37 124.72 1.43 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.83 -0.7 . . . . 2.59 112.272 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.408 -0.806 . . . . 4.41 109.835 177.733 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.162 -0.31 . . . . 3.68 110.162 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.61 ' O ' ' HG2' ' B' ' 19' ' ' LYS . 18.9 m-20 -77.18 105.77 8.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.238 -0.437 . . . . 2.42 110.533 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -76.52 -14.43 60.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.302 0.573 . . . . 2.52 109.542 176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.557 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 0.9 OUTLIER -59.05 -35.81 73.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.347 -0.842 . . . . 1.89 111.122 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' B' ' 16' ' ' ASP . 21.0 ptmt -70.72 -38.71 73.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.565 -0.289 . . . . 1.49 110.667 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.479 ' CZ ' HD21 ' B' ' 68' ' ' LEU . 37.2 mtm180 -73.66 -21.6 60.23 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.557 0.694 . . . . 2.34 109.942 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.557 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 30.5 tp -61.98 -39.45 92.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.313 -0.858 . . . . 0.7 109.639 171.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.659 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -64.99 -54.61 27.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.369 -0.832 . . . . 0.83 111.982 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.444 ' O ' ' HG2' ' B' ' 27' ' ' GLN . 0.3 OUTLIER -58.03 -39.94 79.61 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-O 120.733 0.302 . . . . 2.99 110.51 -174.106 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.453 ' HB1' ' HD3' ' B' ' 73' ' ' PRO . . . -64.3 -38.6 91.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 1.14 110.903 -177.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -71.21 -44.27 73.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.604 -0.725 . . . . 0.97 110.045 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.442 HG23 HG23 ' B' ' 50' ' ' ILE . 87.8 mt -56.01 -49.0 77.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.78 110.577 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 80.2 mm-40 -58.62 -43.58 89.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 1.58 111.745 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.544 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 40.2 t80 -71.77 -53.69 12.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 1.98 111.049 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.73 -31.18 69.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.7 111.315 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -55.86 -57.16 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.177 0.513 . . . . 1.41 110.78 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.05 -34.88 64.21 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.831 -0.622 . . . . 1.98 110.92 -176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -60.12 -40.98 91.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.988 0.423 . . . . 1.93 110.538 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.446 HD23 HD12 ' B' ' 46' ' ' LEU . 3.3 tm? -62.86 -45.41 92.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.808 -0.633 . . . . 1.22 109.723 177.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -66.96 -23.82 66.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.841 -0.618 . . . . 3.5 111.164 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -94.23 -3.19 51.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.791 0.329 . . . . 2.69 111.362 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.94 41.46 98.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.117 -0.563 . . . . 0.53 112.483 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.33 -48.55 85.43 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.195 -0.526 . . . . 0.53 113.153 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.2 -176.2 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.404 0.145 . . . . 0.83 111.012 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.9 t -69.82 -176.46 1.08 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.695 0.283 . . . . 1.42 111.109 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 11.8 p -63.09 -63.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.182 0.438 . . . . 1.63 112.182 -174.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.96 -32.75 74.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.245 0.545 . . . . 2.21 110.599 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -60.66 -38.59 85.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.656 -0.702 . . . . 0.54 110.713 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' B' ' 40' ' ' SER . 25.3 mt-30 -59.67 -57.25 13.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.765 -0.652 . . . . 1.57 110.803 175.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.409 ' O ' HG23 ' B' ' 48' ' ' VAL . 54.3 mm-40 -46.03 -41.02 11.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.392 -0.822 . . . . 2.36 111.241 174.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 29.8 m -66.19 -29.31 69.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.868 -0.605 . . . . 1.04 111.686 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.517 ' O ' HG13 ' B' ' 50' ' ' ILE . 46.0 mt -62.5 -53.27 57.18 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 110.199 -0.297 . . . . 1.28 110.199 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -55.24 -45.89 76.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.744 -0.662 . . . . 1.75 110.891 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 44' ' ' GLU . 20.4 t -60.64 -49.12 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.49 110.394 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.28 96.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.766 -0.652 . . . . 0.48 111.264 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.517 HG13 ' O ' ' B' ' 46' ' ' LEU . 85.2 mt -56.43 -50.63 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.62 110.543 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -63.28 -41.64 99.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 1.84 110.782 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.63 -50.62 66.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.904 -0.589 . . . . 0.69 111.402 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.49 -35.42 80.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.559 0.219 . . . . 0.76 111.307 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.05 -53.09 62.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.195 0.521 . . . . 1.66 109.943 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.0 m -69.12 -33.72 73.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.519 -0.764 . . . . 1.15 111.104 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.77 -55.4 35.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 1.14 111.813 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.659 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 98.6 m-85 -81.27 -6.38 58.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.853 0.359 . . . . 2.06 111.17 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.51 31.93 65.13 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.124 -0.56 . . . . 2.6 111.96 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -104.77 163.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.003 0.43 . . . . 1.35 111.172 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 29.8 p -141.06 -170.84 3.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.564 -0.744 . . . . 2.38 109.05 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.98 -21.68 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.432 0.634 . . . . 2.21 110.092 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.463 ' HA ' ' OD2' ' B' ' 65' ' ' ASP . 31.7 mt-10 -64.02 -24.83 67.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.577 -0.738 . . . . 4.0 110.917 178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.24 -23.14 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.658 0.742 . . . . 3.62 109.259 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' B' ' 67' ' ' ALA . 14.3 t -80.32 -16.58 54.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.491 -0.777 . . . . 2.92 109.555 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.463 ' OD2' ' HA ' ' B' ' 62' ' ' GLU . 5.9 m-20 -71.71 -39.92 69.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.124 -0.489 . . . . 3.46 110.477 173.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -87.1 28.23 0.95 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.277 0.561 . . . . 1.87 110.617 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' B' ' 64' ' ' SER . . . -48.3 152.66 0.83 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.904 -1.043 . . . . 1.54 113.519 -175.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.479 HD21 ' CZ ' ' B' ' 20' ' ' ARG . 88.2 mt -82.82 167.02 32.46 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 114.72 -1.127 . . . . 1.56 110.314 177.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' B' ' 68' ' ' LEU . 5.5 Cg_exo -39.89 -48.58 3.68 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.697 2.931 . . . . 2.75 112.756 176.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -135.15 153.33 52.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.909 -0.774 . . . . 2.76 108.909 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -70.67 144.62 51.0 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 121.419 0.628 . . . . 1.55 109.716 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.556 ' N ' ' HD2' ' B' ' 73' ' ' PRO . 28.8 mt -68.93 -30.51 2.36 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 114.177 1.177 . . . . 1.79 114.177 -170.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' B' ' 72' ' ' LEU . 20.7 Cg_exo -36.48 -45.71 1.12 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.712 2.275 . . . . 1.06 113.972 170.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' B' ' 77' ' ' GLU . 31.7 tt0 -72.94 -37.42 67.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.929 0.395 . . . . 2.27 110.587 178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 25.7 mm -58.85 -38.61 73.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.967 0.413 . . . . 1.37 109.944 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.476 ' CD2' ' HA ' ' B' ' 73' ' ' PRO . 18.6 m-30 -60.29 -42.13 94.84 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.602 -0.726 . . . . 2.37 110.721 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 74' ' ' GLU . 13.1 pt-20 -80.6 -25.46 38.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.776 0.322 . . . . 2.51 110.951 -177.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.75 -64.42 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.41 0.522 . . . . 0.64 112.41 -174.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.09 -27.81 63.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.023 0.44 . . . . 0.99 111.956 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -75.98 -19.96 58.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.116 -0.493 . . . . 1.55 111.588 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.1 p -98.58 15.66 24.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.111 0.482 . . . . 2.33 110.853 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.66 125.24 1.44 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.878 -0.677 . . . . 2.59 112.168 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.331 -0.842 . . . . 4.4 109.955 177.536 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.285 -0.265 . . . . 3.68 110.285 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.91 127.57 32.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.447 -0.342 . . . . 2.4 110.468 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.637 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 13.3 p-10 -84.94 -14.13 48.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.257 -0.429 . . . . 2.52 110.3 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.66 -48.84 78.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.744 -0.662 . . . . 1.9 111.086 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -63.14 -46.61 86.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.209 -0.451 . . . . 1.49 111.337 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.77 -34.83 79.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.248 0.547 . . . . 2.34 110.625 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 tp -58.08 -51.44 69.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.303 -0.862 . . . . 0.7 110.082 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -64.04 -48.54 75.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.83 110.87 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 8.1 t80 -52.58 -53.03 52.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 2.99 112.029 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.33 83.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.391 -0.368 . . . . 1.14 111.19 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.6 mt -69.86 -39.24 77.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.105 -0.498 . . . . 0.97 110.35 177.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 22' ' ' ALA . 49.8 mt -54.76 -55.91 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.255 -0.43 . . . . 0.78 111.091 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.28 -44.83 93.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 1.58 111.765 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.404 ' HB2' ' HG2' ' A' ' 73' ' ' PRO . 85.4 t80 -65.82 -46.32 79.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.547 -0.297 . . . . 1.98 110.988 -178.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.702 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.3 mp -64.05 -36.71 84.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.67 -0.241 . . . . 0.7 110.501 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.77 -50.95 70.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 1.41 110.687 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.84 -34.06 68.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.489 -0.323 . . . . 1.98 110.784 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.47 -37.64 81.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 1.92 110.536 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 46' ' ' LEU . 66.9 mt -66.79 -43.44 83.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.461 . . . . 1.22 110.422 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.87 -26.96 65.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 3.49 110.955 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -89.72 -2.59 58.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.87 0.367 . . . . 2.68 111.139 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.44 40.66 91.34 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.949 -0.569 . . . . 0.53 112.815 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.78 -36.92 92.87 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.001 -0.619 . . . . 0.52 112.598 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.84 178.34 4.5 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.231 -0.285 . . . . 0.83 110.231 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.3 t -74.75 179.97 4.51 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.91 -0.404 . . . . 1.42 109.91 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -63.44 -58.16 7.93 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.325 -0.235 . . . . 1.63 111.558 -173.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.99 -38.42 88.53 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.34 0.591 . . . . 2.2 110.722 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' B' ' 56' ' ' ALA . . . -63.49 -38.43 91.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.427 -0.806 . . . . 0.54 110.596 177.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.501 ' HG3' HD22 ' A' ' 33' ' ' LEU . 9.0 tt0 -60.01 -47.92 83.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.573 -0.739 . . . . 1.56 110.226 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 48' ' ' VAL . 36.6 mt-10 -62.58 -40.9 98.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.651 -0.704 . . . . 2.36 110.221 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 43.4 m -61.46 -42.58 98.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.537 -0.756 . . . . 1.04 111.319 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 33' ' ' LEU . 18.9 mt -59.96 -43.75 94.86 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 121.16 -0.216 . . . . 1.28 110.806 177.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 41.4 tt0 -60.94 -42.15 97.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.308 -0.405 . . . . 1.76 110.882 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 44' ' ' GLU . 43.8 t -64.64 -40.94 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.006 0.431 . . . . 0.49 109.849 176.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HB2' ' HB2' ' B' ' 52' ' ' CYS . . . -61.25 -42.19 98.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.776 -0.647 . . . . 0.48 110.938 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 46' ' ' LEU . 71.4 mt -54.67 -51.8 47.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.062 -0.517 . . . . 0.61 110.73 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 8.6 mm100 -63.19 -36.7 84.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.961 -0.563 . . . . 1.84 110.596 -178.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' B' ' 45' ' ' SER . 72.9 m -68.11 -47.2 68.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.927 -0.579 . . . . 0.69 110.871 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.47 -40.12 96.28 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.958 0.409 . . . . 0.76 110.305 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.54 -51.47 69.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.623 -0.717 . . . . 1.65 110.385 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 m -68.1 -30.99 70.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.037 -0.529 . . . . 1.16 111.08 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.66 -61.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.976 -0.556 . . . . 1.15 111.758 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 22' ' ' ALA . 86.7 m-85 -73.64 -13.06 60.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.981 0.42 . . . . 2.05 111.283 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.29 35.95 60.0 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.741 -0.663 . . . . 2.6 111.555 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.32 152.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.962 0.41 . . . . 1.35 111.276 -175.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.9 p -139.48 -169.43 2.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.694 -0.684 . . . . 2.38 109.792 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.8 -13.37 16.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.528 0.68 . . . . 2.21 110.346 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.12 -23.31 67.27 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.331 0.586 . . . . 4.01 110.346 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.83 -18.98 61.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.329 -0.619 . . . . 3.62 109.329 177.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 23' ' ' TYR . 10.1 t -76.94 -27.4 54.84 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.775 -0.648 . . . . 2.91 109.514 176.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.02 -38.39 90.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.778 -0.646 . . . . 3.46 109.978 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.44 19.99 14.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.879 -0.6 . . . . 1.87 111.361 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.97 144.19 29.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.261 0.553 . . . . 1.53 112.286 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.538 HD12 HD21 ' A' ' 72' ' ' LEU . 96.1 mt -75.56 158.87 82.75 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.481 -0.781 . . . . 1.55 110.029 177.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.89 -47.03 12.3 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.111 2.54 . . . . 2.74 113.253 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -121.78 157.83 30.16 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.862 -0.422 . . . . 2.75 109.862 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.52 140.44 42.77 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.409 0.623 . . . . 1.55 110.32 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.598 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 2.9 mm? -65.63 -42.73 57.65 Favored Pre-proline 0 C--O 1.22 -0.479 0 CA-C-N 115.069 -0.969 . . . . 1.79 113.152 -175.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HG2' ' HB2' ' A' ' 28' ' ' PHE . 65.5 Cg_exo -45.97 -34.58 12.92 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.365 2.044 . . . . 1.07 113.983 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.97 -44.92 71.95 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.84 -0.43 . . . . 2.28 109.84 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.63 -39.09 74.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.324 0.583 . . . . 1.38 109.713 172.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.598 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 12.8 m-30 -62.11 -32.66 73.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.396 -0.82 . . . . 2.36 110.208 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.643 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 62.0 mt-10 -76.4 -14.93 60.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.776 0.322 . . . . 2.52 111.255 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.32 -34.66 15.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.934 0.397 . . . . 0.65 110.768 174.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.8 -51.52 5.05 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.299 0.481 . . . . 0.99 112.299 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.439 ' HA ' HD11 ' B' ' 72' ' ' LEU . . . -71.51 -9.58 58.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.065 0.394 . . . . 1.56 112.065 -172.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.465 HG23 ' HB3' ' B' ' 17' ' ' ASN . 0.8 OUTLIER -73.98 -19.0 60.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.954 0.407 . . . . 2.33 110.533 174.337 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.37 109.31 0.91 Allowed Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.846 -0.616 . . . . 2.59 111.864 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.92 -0.77 . . . . 4.41 108.92 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.663 0.268 . . . . 3.68 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.59 127.49 32.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.408 -0.36 . . . . 2.42 110.501 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.643 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 13.0 p-10 -85.01 -14.06 48.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.26 -0.427 . . . . 2.52 110.285 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -57.76 -48.84 78.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.799 -0.637 . . . . 1.89 110.996 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -63.0 -46.59 86.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.444 . . . . 1.49 111.439 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.84 -34.77 79.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.194 0.521 . . . . 2.34 110.622 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 24.0 tp -58.08 -51.49 69.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.363 -0.835 . . . . 0.7 110.05 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.457 ' O ' HG13 ' B' ' 26' ' ' ILE . . . -64.08 -48.55 75.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.787 -0.642 . . . . 0.83 110.848 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' B' ' 64' ' ' SER . 8.1 t80 -52.58 -52.86 53.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 2.99 112.034 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.28 83.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.831 0.348 . . . . 1.14 111.187 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.4 mt -69.91 -39.13 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.016 -0.538 . . . . 0.97 110.328 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 22' ' ' ALA . 49.6 mt -54.78 -55.84 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.272 -0.422 . . . . 0.78 111.115 175.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.36 -44.76 93.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.125 -0.489 . . . . 1.58 111.768 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.4 ' HB2' ' HG2' ' B' ' 73' ' ' PRO . 85.7 t80 -65.9 -46.11 79.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.532 -0.303 . . . . 1.98 111.091 -178.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.7 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 8.3 mp -64.23 -36.75 85.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.602 -0.272 . . . . 0.7 110.483 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.76 -50.99 70.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.336 -0.393 . . . . 1.41 110.625 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.81 -33.95 68.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 1.98 110.769 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.5 -37.68 81.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 1.93 110.516 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' B' ' 46' ' ' LEU . 66.7 mt -66.79 -43.33 84.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 1.22 110.405 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -68.99 -26.93 65.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.884 -0.598 . . . . 3.5 110.955 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -89.59 -2.86 58.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.832 0.349 . . . . 2.69 111.112 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.83 40.37 89.55 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.115 -0.564 . . . . 0.53 112.73 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.59 -36.99 93.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.024 -0.608 . . . . 0.53 112.536 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.91 178.21 4.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.157 -0.312 . . . . 0.83 110.157 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -74.75 179.94 4.52 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.965 -0.383 . . . . 1.42 109.965 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 20.9 t -63.39 -57.92 8.76 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.688 0.255 . . . . 1.63 111.688 -173.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.31 -38.54 89.81 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.234 0.54 . . . . 2.21 110.618 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.31 90.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.579 -0.737 . . . . 0.54 110.636 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.51 ' HG3' HD22 ' B' ' 33' ' ' LEU . 8.9 tt0 -60.08 -47.75 84.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.515 -0.766 . . . . 1.57 110.332 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.405 ' O ' HG23 ' B' ' 48' ' ' VAL . 36.1 mt-10 -62.56 -41.02 98.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.635 -0.712 . . . . 2.36 110.249 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 46.3 m -61.5 -42.63 99.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.464 -0.789 . . . . 1.04 111.266 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.741 ' HB2' HD21 ' B' ' 33' ' ' LEU . 18.7 mt -59.99 -43.64 95.03 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 121.229 -0.189 . . . . 1.28 110.748 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 41.1 tt0 -61.22 -42.05 97.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.307 -0.406 . . . . 1.75 110.821 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 44' ' ' GLU . 43.9 t -64.54 -41.07 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.025 0.441 . . . . 0.49 109.835 176.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 52' ' ' CYS . . . -61.24 -42.14 98.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.813 -0.631 . . . . 0.48 110.934 177.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 46' ' ' LEU . 71.5 mt -54.7 -51.86 47.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.62 110.688 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 8.6 mm100 -63.18 -36.57 84.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.922 -0.581 . . . . 1.84 110.693 -177.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 45' ' ' SER . 72.1 m -68.24 -47.24 68.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.905 -0.589 . . . . 0.69 110.84 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 0.76 110.302 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.32 -51.55 69.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.638 -0.71 . . . . 1.66 110.48 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.9 m -68.05 -30.99 70.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.999 -0.546 . . . . 1.15 110.986 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . . . -69.82 -61.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.992 -0.549 . . . . 1.14 111.751 -177.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' B' ' 22' ' ' ALA . 86.2 m-85 -73.77 -12.79 60.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.928 0.394 . . . . 2.06 111.239 -177.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.07 35.99 60.77 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.806 -0.634 . . . . 2.6 111.544 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -102.23 152.74 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.003 0.43 . . . . 1.35 111.228 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.2 p -139.91 -170.8 3.03 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.632 -0.713 . . . . 2.38 109.692 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.68 -13.63 15.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.52 0.676 . . . . 2.21 110.471 175.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.0 -23.38 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.295 0.569 . . . . 4.0 110.407 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.8 -18.81 61.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.842 -0.617 . . . . 3.62 109.371 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.425 ' HA ' ' CZ ' ' B' ' 23' ' ' TYR . 9.5 t -77.09 -27.5 54.2 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.814 -0.63 . . . . 2.92 109.474 175.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.84 -38.32 90.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.882 -0.599 . . . . 3.46 110.015 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.58 19.98 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.841 -0.618 . . . . 1.87 111.481 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.01 144.05 30.15 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.107 -0.497 . . . . 1.54 112.203 -176.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.526 HD12 HD21 ' B' ' 72' ' ' LEU . 96.1 mt -75.48 158.95 82.85 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.539 -0.755 . . . . 1.56 110.101 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -44.91 -47.07 12.3 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.097 2.532 . . . . 2.75 113.302 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -121.82 157.92 30.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.905 -0.406 . . . . 2.76 109.905 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.49 143.83 42.35 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.52 0.676 . . . . 1.55 109.835 176.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.613 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 2.9 mm? -68.56 -42.41 26.66 Favored Pre-proline 0 C--O 1.219 -0.552 0 CA-C-N 115.072 -0.967 . . . . 1.79 112.877 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' B' ' 28' ' ' PHE . 64.6 Cg_exo -45.85 -34.59 12.48 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.405 2.07 . . . . 1.06 113.951 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.08 -44.96 71.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.993 0.425 . . . . 2.27 109.876 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -58.58 -38.98 74.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.373 0.606 . . . . 1.37 109.715 172.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 12.9 m-30 -62.27 -32.64 73.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.462 -0.79 . . . . 2.37 110.193 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.637 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 59.8 mt-10 -76.0 -16.53 59.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.967 0.413 . . . . 2.51 111.15 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.2 -36.11 16.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.046 0.45 . . . . 0.64 111.006 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.56 -52.04 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.512 0.56 . . . . 0.99 112.512 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.427 ' HA ' HD11 ' A' ' 72' ' ' LEU . . . -70.26 -11.66 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.144 0.424 . . . . 1.55 112.144 -173.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.439 HG23 ' HB3' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -72.57 -18.9 61.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.927 0.394 . . . . 2.33 110.84 174.571 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.3 109.57 0.93 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.91 -0.586 . . . . 2.59 111.739 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 N-CA-C 109.002 -0.74 . . . . 4.4 109.002 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.5 mmm . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 121.058 0.456 . . . . 3.68 110.572 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.556 ' OD1' ' HG3' ' A' ' 19' ' ' LYS . 13.5 t70 -78.55 118.88 21.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 2.4 110.288 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -76.18 -27.47 56.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.478 -0.328 . . . . 2.52 111.417 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -58.48 -55.63 32.56 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.332 -0.394 . . . . 1.9 111.261 -174.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.556 ' HG3' ' OD1' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -71.16 -22.79 62.0 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.768 -0.373 . . . . 1.49 111.143 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 83.3 mtm180 -75.69 -34.63 60.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.956 0.408 . . . . 2.34 110.583 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.662 ' HB2' ' CD2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -65.76 -35.41 80.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.869 -0.605 . . . . 0.7 109.611 178.583 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.42 -61.3 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.779 -0.646 . . . . 0.83 111.892 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 20' ' ' ARG . 7.9 p90 -64.27 -34.44 78.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.914 0.388 . . . . 2.99 110.686 -174.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.51 98.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.784 -0.643 . . . . 1.14 110.787 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.2 mt -67.75 -41.8 85.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.97 110.031 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 50' ' ' ILE . 67.6 mt -54.53 -56.05 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.78 111.719 178.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.44 -41.91 94.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 1.58 111.122 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.46 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 78.8 t80 -66.19 -45.09 82.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 1.98 110.227 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 5.4 mp -65.78 -27.46 68.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.7 111.082 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.69 -46.06 63.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.93 0.395 . . . . 1.41 110.317 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.91 -44.93 87.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.425 0.631 . . . . 1.98 109.967 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -61.01 -33.08 72.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.919 -1.037 . . . . 1.92 110.995 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.3 -50.07 69.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 1.22 109.691 178.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -69.29 -25.3 64.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 3.49 110.929 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -83.24 -3.28 57.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.975 0.417 . . . . 2.68 111.438 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.35 39.92 98.33 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.901 -0.591 . . . . 0.53 112.784 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.03 -46.76 93.38 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.894 -0.669 . . . . 0.52 112.349 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 3.9 mm? -93.23 177.01 6.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.28 -0.267 . . . . 0.83 110.28 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 t -75.69 173.71 10.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.171 -0.307 . . . . 1.42 110.171 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -58.37 -53.01 63.14 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 111.599 0.222 . . . . 1.63 111.599 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -64.31 -39.6 94.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.159 0.504 . . . . 2.2 110.477 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 38' ' ' LEU . . . -64.28 -37.68 88.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.56 -0.745 . . . . 0.54 110.781 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.519 ' O ' HD21 ' A' ' 33' ' ' LEU . 34.4 mt-30 -57.44 -59.82 4.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.928 -0.578 . . . . 1.56 110.752 175.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -46.83 -44.49 19.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.192 -0.913 . . . . 2.36 111.001 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -64.77 -33.71 76.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.805 -0.634 . . . . 1.04 111.257 -178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.486 HD12 HD23 ' A' ' 33' ' ' LEU . 27.3 mt -63.58 -46.34 86.3 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 121.155 -0.218 . . . . 1.28 110.528 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.44 -38.77 88.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 1.76 110.6 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.98 -48.55 85.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.49 110.064 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.83 -38.86 89.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.93 -0.577 . . . . 0.48 111.066 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.627 HG23 HG23 ' A' ' 26' ' ' ILE . 34.5 mt -55.0 -53.47 33.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.61 111.132 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.431 HE21 HG22 ' A' ' 50' ' ' ILE . 29.5 mm-40 -64.74 -33.91 77.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 1.84 111.133 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 79.8 m -67.87 -47.62 68.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.37 -0.377 . . . . 0.69 110.711 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.55 -42.05 98.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.876 0.37 . . . . 0.76 110.493 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.1 -52.23 66.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.569 -0.741 . . . . 1.65 110.404 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 m -68.23 -34.26 75.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.746 -0.661 . . . . 1.16 111.231 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 -55.65 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 1.15 111.799 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.49 -4.95 48.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 2.05 111.393 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.09 24.4 73.79 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.047 -0.597 . . . . 2.6 112.117 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 19' ' ' LYS . 18.6 m -98.4 159.46 3.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.578 0.228 . . . . 1.35 110.691 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.6 p -141.11 -170.0 2.96 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.176 -0.466 . . . . 2.38 110.15 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.436 ' O ' ' HB3' ' A' ' 64' ' ' SER . 12.6 p -64.28 -20.37 26.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.266 0.555 . . . . 2.21 110.711 175.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -63.64 -37.63 88.06 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.482 0.658 . . . . 4.01 110.125 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.443 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 7.1 m-20 -68.46 -22.0 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 3.62 110.072 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 40.3 t -72.33 -25.44 61.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.173 -0.467 . . . . 2.91 109.881 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.58 -37.23 79.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 3.46 110.429 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.8 pp -83.77 29.61 0.53 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.127 0.489 . . . . 1.87 111.111 177.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -50.96 143.24 10.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.687 -0.688 . . . . 1.53 112.417 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.635 HD12 HD11 ' A' ' 72' ' ' LEU . 92.5 mt -81.35 161.72 61.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.332 -0.849 . . . . 1.55 110.496 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -47.75 -50.17 12.14 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.993 2.462 . . . . 2.74 113.256 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -116.75 160.18 21.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.022 -0.362 . . . . 2.75 110.022 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.9 p -72.99 142.48 47.75 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.474 0.654 . . . . 1.55 109.872 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.635 HD11 HD12 ' A' ' 68' ' ' LEU . 10.8 mp -77.35 -37.17 1.62 Allowed Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.561 -0.745 . . . . 1.79 113.0 -172.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.466 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 81.5 Cg_exo -53.12 -31.27 53.93 Favored 'Trans proline' 0 C--N 1.348 0.516 0 CA-C-N 120.325 1.152 . . . . 1.07 111.741 168.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -74.08 -35.77 64.24 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.158 -0.474 . . . . 2.28 109.865 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.622 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 8.2 mm -53.26 -49.39 52.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.9 -0.591 . . . . 1.38 109.787 169.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.672 ' CD2' ' HB2' ' B' ' 21' ' ' LEU . 0.8 OUTLIER -61.85 -46.65 88.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.404 -0.817 . . . . 2.36 111.477 -179.705 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.48 ' O ' ' HB ' ' A' ' 81' ' ' THR . 45.4 mt-10 -61.23 -21.66 64.07 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.955 -0.298 . . . . 2.52 111.213 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.88 -64.65 1.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.4 -0.364 . . . . 0.65 111.494 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.58 -47.03 18.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.159 0.504 . . . . 0.99 111.875 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.461 ' HB1' ' HG ' ' B' ' 72' ' ' LEU . . . -81.66 -1.14 45.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.613 -0.721 . . . . 1.56 112.236 -171.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 77' ' ' GLU . 6.3 t -70.28 -3.12 15.66 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.369 0.507 . . . . 2.33 112.369 -174.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.96 51.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 119.544 -1.313 . . . . 2.59 114.124 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.493 -0.765 . . . . 4.41 110.464 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 85.4 mmm . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.955 0.407 . . . . 3.68 110.455 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.566 ' OD1' ' HG3' ' B' ' 19' ' ' LYS . 13.5 t70 -78.45 119.06 21.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 2.42 110.229 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -76.28 -27.53 56.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.534 -0.303 . . . . 2.52 111.374 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -58.56 -55.68 31.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.406 -0.361 . . . . 1.89 111.267 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.566 ' HG3' ' OD1' ' B' ' 16' ' ' ASP . 0.1 OUTLIER -70.86 -23.05 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.706 -0.398 . . . . 1.49 111.175 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' B' ' 23' ' ' TYR . 83.3 mtm180 -75.55 -34.65 60.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.958 0.408 . . . . 2.34 110.554 178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.672 ' HB2' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -65.75 -35.32 80.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.905 -0.589 . . . . 0.7 109.638 178.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.46 -61.3 2.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.74 -0.663 . . . . 0.83 111.927 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.533 ' CE2' ' HA ' ' B' ' 20' ' ' ARG . 8.0 p90 -64.2 -34.49 78.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.986 0.422 . . . . 2.99 110.709 -174.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.64 98.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.722 -0.672 . . . . 1.14 110.845 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.0 mt -67.69 -41.83 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.97 110.006 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.617 HG23 HG23 ' B' ' 50' ' ' ILE . 67.2 mt -54.56 -55.86 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.78 111.718 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -60.72 -41.75 95.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 1.58 111.116 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.468 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 79.0 t80 -66.15 -45.07 82.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.125 -0.489 . . . . 1.98 110.294 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 5.4 mp -65.77 -27.5 68.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.7 111.167 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -70.81 -46.08 63.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.88 0.371 . . . . 1.41 110.175 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.85 -44.77 88.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.504 0.669 . . . . 1.98 110.074 176.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -61.11 -33.06 72.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.948 -1.024 . . . . 1.93 111.001 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.4 OUTLIER -64.33 -49.9 69.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.82 -0.627 . . . . 1.22 109.692 178.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -69.26 -25.67 64.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 3.5 110.803 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -83.01 -3.3 57.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.886 0.374 . . . . 2.69 111.409 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.56 39.71 97.92 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.53 112.731 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.08 -46.56 93.77 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.895 -0.669 . . . . 0.53 112.272 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' B' ' 42' ' ' ALA . 3.8 mm? -93.48 177.17 6.11 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.258 -0.275 . . . . 0.83 110.258 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 17.6 t -75.82 173.71 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.098 -0.334 . . . . 1.42 110.098 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -58.69 -52.71 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.622 0.248 . . . . 1.63 111.588 -173.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.35 -39.5 94.01 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.184 0.516 . . . . 2.21 110.576 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' B' ' 38' ' ' LEU . . . -64.23 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 0.54 110.769 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.517 ' O ' HD21 ' B' ' 33' ' ' LEU . 34.5 mt-30 -57.36 -59.79 4.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 1.57 110.788 175.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -46.93 -44.41 19.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.287 -0.869 . . . . 2.36 110.981 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.0 t -64.87 -33.65 76.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.799 -0.637 . . . . 1.04 111.239 -178.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.5 HD12 HD23 ' B' ' 33' ' ' LEU . 27.6 mt -63.59 -46.22 86.83 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 121.155 -0.218 . . . . 1.28 110.603 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.63 -38.48 87.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.951 0.405 . . . . 1.75 110.634 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 51.3 t -64.15 -48.6 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.49 110.085 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.69 -38.93 89.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.869 -0.605 . . . . 0.48 111.171 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.617 HG23 HG23 ' B' ' 26' ' ' ILE . 34.8 mt -55.0 -53.25 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 0.62 111.187 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.435 HE21 HG22 ' B' ' 50' ' ' ILE . 29.9 mm-40 -65.07 -33.77 76.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.445 -0.343 . . . . 1.84 111.081 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -67.9 -47.72 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.404 -0.362 . . . . 0.69 110.698 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.39 -42.08 98.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.76 110.443 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.06 -52.24 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 1.66 110.338 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 9.4 m -68.42 -34.05 75.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.772 -0.649 . . . . 1.15 111.211 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.93 17.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 1.14 111.641 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.21 -5.13 48.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.899 0.38 . . . . 2.06 111.505 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.02 24.69 73.23 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.987 -0.625 . . . . 2.6 112.078 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' B' ' 19' ' ' LYS . 18.8 m -98.69 159.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.695 0.283 . . . . 1.35 110.779 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 38.2 p -141.14 -171.12 3.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.127 -0.488 . . . . 2.38 110.013 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' B' ' 64' ' ' SER . 12.4 p -63.54 -20.49 26.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.147 0.498 . . . . 2.21 110.667 175.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -63.46 -37.85 88.88 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.538 0.685 . . . . 4.0 110.162 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.455 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 7.0 m-20 -68.27 -22.07 64.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.672 -0.695 . . . . 3.62 110.114 177.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' B' ' 61' ' ' VAL . 38.9 t -72.27 -25.39 61.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.082 -0.508 . . . . 2.92 109.871 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -68.59 -37.08 79.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 3.46 110.402 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.8 pp -83.23 27.63 0.56 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.037 0.446 . . . . 1.87 111.298 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.454 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -49.73 143.1 7.71 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.728 -0.669 . . . . 1.54 112.604 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.649 HD12 HD11 ' B' ' 72' ' ' LEU . 92.6 mt -81.38 161.65 61.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.523 -0.762 . . . . 1.56 110.55 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -47.86 -49.67 13.25 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.977 2.451 . . . . 2.75 113.331 -175.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -117.0 160.22 21.29 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.851 -0.426 . . . . 2.76 109.851 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 32.9 p -73.04 144.78 47.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.39 0.614 . . . . 1.55 109.505 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.649 HD11 HD12 ' B' ' 68' ' ' LEU . 10.9 mp -79.2 -37.12 1.19 Allowed Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.547 -0.751 . . . . 1.79 112.902 -172.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.468 ' HG2' ' CB ' ' B' ' 28' ' ' PHE . 81.8 Cg_exo -53.14 -31.36 54.51 Favored 'Trans proline' 0 C--N 1.347 0.481 0 CA-C-N 120.167 1.095 . . . . 1.06 111.613 168.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.92 -35.84 64.64 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.195 -0.457 . . . . 2.27 109.81 176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.635 ' HB ' ' O ' ' B' ' 72' ' ' LEU . 8.2 mm -53.25 -49.29 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.916 -0.584 . . . . 1.37 109.799 169.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.662 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -61.92 -46.75 87.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.293 -0.867 . . . . 2.37 111.518 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.491 ' O ' ' HB ' ' B' ' 81' ' ' THR . 45.2 mt-10 -60.9 -22.91 64.8 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.91 -0.316 . . . . 2.51 111.012 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.23 -64.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.945 0.403 . . . . 0.64 111.846 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.76 -47.46 16.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.421 0.629 . . . . 0.99 111.934 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.454 ' HB1' ' HG ' ' A' ' 72' ' ' LEU . . . -78.08 -7.65 57.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.213 -0.903 . . . . 1.55 112.217 -172.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' B' ' 77' ' ' GLU . 6.2 t -67.48 -2.23 6.13 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.548 0.573 . . . . 2.33 112.548 -172.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.78 51.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 119.541 -1.314 . . . . 2.59 113.985 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.372 -0.823 . . . . 4.4 110.406 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.081 -0.341 . . . . 3.68 110.081 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -73.93 115.67 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.407 -0.36 . . . . 2.4 110.308 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -81.78 -6.35 58.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.959 0.409 . . . . 2.52 109.909 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -62.72 -46.46 88.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 1.9 110.767 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 20' ' ' ARG . 12.9 ptpt -65.96 -34.64 78.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 1.49 110.418 178.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.613 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 95.5 mtt180 -71.18 -37.24 72.18 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.602 -0.726 . . . . 2.34 109.791 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' B' ' 76' ' ' PHE . 8.7 tp -55.83 -47.52 77.08 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.958 -1.019 . . . . 0.7 110.121 172.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.1 -60.23 3.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.876 -0.602 . . . . 0.83 112.51 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.613 ' CD2' ' HA ' ' A' ' 20' ' ' ARG . 1.8 p90 -64.07 -37.96 89.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.762 0.315 . . . . 2.99 110.966 -172.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 1.14 110.657 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.424 HG23 HD13 ' A' ' 29' ' ' LEU . 23.4 mt -64.2 -43.97 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.97 109.879 173.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.12 -46.35 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.78 111.028 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 27.1 mm-40 -56.35 -52.07 65.94 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.898 0.38 . . . . 1.58 110.903 -178.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.44 -47.86 58.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.977 -0.556 . . . . 1.98 111.298 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.55 HD23 HD11 ' A' ' 46' ' ' LEU . 8.8 mp -65.21 -28.79 69.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.761 0.282 . . . . 0.7 111.761 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -67.09 -43.59 82.18 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.945 -0.391 . . . . 1.41 109.945 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.72 -45.59 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 1.98 109.91 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.418 ' HG2' ' HA3' ' A' ' 37' ' ' GLY . 0.8 OUTLIER -59.45 -38.55 81.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.306 -0.861 . . . . 1.92 111.054 178.008 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.31 -45.99 88.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.625 -0.509 . . . . 1.22 109.625 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -68.59 -34.95 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.784 -0.644 . . . . 3.49 110.559 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -73.28 -35.81 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.657 -0.702 . . . . 2.68 111.458 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.77 43.69 2.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.918 -0.658 . . . . 0.53 112.214 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' HA3' ' HG2' ' A' ' 32' ' ' GLN . . . -65.18 -65.66 2.82 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.004 -0.617 . . . . 0.52 112.855 -177.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.88 -174.78 5.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.7 0.286 . . . . 0.83 111.191 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.8 m -77.24 177.87 7.55 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.89 0.329 . . . . 1.42 111.89 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 p -59.6 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.63 112.047 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.49 -32.67 72.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.296 0.57 . . . . 2.2 110.683 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.86 65.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.455 -0.793 . . . . 0.54 110.707 177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -52.37 -60.26 3.44 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.266 0.626 . . . . 1.56 112.621 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.5 pt-20 -53.51 -44.52 69.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 111.845 0.313 . . . . 2.36 111.845 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.6 m -65.71 -34.72 78.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.579 0.705 . . . . 1.04 110.151 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.55 HD11 HD23 ' A' ' 29' ' ' LEU . 21.8 tp -70.23 -35.41 73.82 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.069 -0.968 . . . . 1.28 110.763 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.13 -39.02 92.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.116 0.484 . . . . 1.76 109.802 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 44' ' ' GLU . 54.5 t -62.75 -42.53 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.65 . . . . 0.49 109.725 175.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' B' ' 52' ' ' CYS . . . -56.78 -40.71 76.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.743 -0.662 . . . . 0.48 111.252 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 46' ' ' LEU . 70.7 mt -55.48 -52.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.61 110.922 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.82 -27.73 65.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 1.84 111.461 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.433 ' CB ' ' HB2' ' B' ' 49' ' ' ALA . 70.7 m -70.79 -45.74 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.017 -0.273 . . . . 0.69 110.471 177.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.27 -41.94 99.06 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.663 -0.495 . . . . 0.76 109.663 175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -50.07 -56.07 12.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.756 -1.111 . . . . 1.65 110.615 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.0 m -69.55 -35.26 75.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.436 -0.802 . . . . 1.16 111.527 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.0 -56.61 13.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 1.15 112.059 -176.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -80.13 -5.51 56.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.892 0.377 . . . . 2.05 111.192 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.49 32.86 71.65 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.036 -0.602 . . . . 2.6 111.752 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -104.6 148.4 9.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.028 0.442 . . . . 1.35 111.021 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.0 p -137.94 -168.45 2.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.634 -0.712 . . . . 2.38 110.251 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.02 -21.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.988 0.423 . . . . 2.21 110.473 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -63.82 -42.56 97.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.56 0.695 . . . . 4.01 109.711 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -73.32 -15.27 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.604 -0.725 . . . . 3.62 110.148 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 15.7 m -86.9 -11.95 49.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.707 -0.679 . . . . 2.91 109.842 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 67' ' ' ALA . 27.2 t70 -81.7 -32.08 31.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 3.46 110.282 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -80.15 28.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.2 0.524 . . . . 1.87 110.533 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -49.83 133.29 22.06 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.102 -0.954 . . . . 1.53 112.58 -176.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.9 mt -73.37 158.53 86.52 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 114.726 -1.124 . . . . 1.55 110.125 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -40.55 -46.84 4.55 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.47 2.78 . . . . 2.74 113.596 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -128.76 153.34 47.47 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.698 -0.482 . . . . 2.75 109.698 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.85 139.97 57.78 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.576 0.703 . . . . 1.55 110.911 177.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.829 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 37.3 mt -71.74 -35.13 3.46 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 113.994 1.109 . . . . 1.79 113.994 -170.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -50.49 -30.58 28.1 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 121.497 1.464 . . . . 1.07 112.731 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.26 -38.86 63.32 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.725 0.298 . . . . 2.28 110.345 176.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 72' ' ' LEU . 20.8 mm -54.19 -48.09 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 121.286 0.565 . . . . 1.38 109.915 173.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.823 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 0.4 OUTLIER -63.63 -40.09 96.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.337 -0.847 . . . . 2.36 111.276 179.008 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.35 -29.99 70.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.267 0.555 . . . . 2.52 110.346 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.26 -52.44 5.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 0.65 111.891 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.82 -44.19 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.681 0.623 . . . . 0.99 112.681 -170.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.91 -9.76 59.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.302 0.482 . . . . 1.56 112.302 -169.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -72.13 2.2 6.23 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.394 0.516 . . . . 2.33 112.394 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.16 156.25 9.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.899 -0.667 . . . . 2.59 112.358 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.778 -0.629 . . . . 4.41 111.636 179.509 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 109.916 -0.402 . . . . 3.68 109.916 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -73.86 115.82 13.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.318 -0.401 . . . . 2.42 110.369 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -81.76 -6.55 59.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.093 0.473 . . . . 2.52 109.934 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -62.66 -46.56 87.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 1.89 110.785 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' B' ' 20' ' ' ARG . 12.9 ptpt -65.87 -34.74 78.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.069 0.462 . . . . 1.49 110.339 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.606 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . 95.5 mtt180 -71.05 -37.34 72.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.683 -0.69 . . . . 2.34 109.891 -178.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 76' ' ' PHE . 8.8 tp -55.68 -47.56 76.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.928 -1.033 . . . . 0.7 110.143 172.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.2 -60.14 4.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.911 -0.586 . . . . 0.83 112.53 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.606 ' CD2' ' HA ' ' B' ' 20' ' ' ARG . 1.9 p90 -64.11 -37.88 89.06 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.862 -0.335 . . . . 2.99 110.936 -172.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.96 0.41 . . . . 1.14 110.621 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.441 HG23 HD13 ' B' ' 29' ' ' LEU . 23.0 mt -64.24 -43.93 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.819 -0.628 . . . . 0.97 109.857 173.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.13 -46.23 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.78 111.085 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 27.8 mm-40 -56.41 -51.98 66.33 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.901 0.381 . . . . 1.58 110.96 -178.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -70.48 -47.86 58.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.945 -0.57 . . . . 1.98 111.326 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.544 HD23 HD11 ' B' ' 46' ' ' LEU . 8.8 mp -65.36 -28.64 69.42 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.765 0.283 . . . . 0.7 111.765 -176.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -67.16 -43.75 81.48 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.891 -0.411 . . . . 1.41 109.891 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.73 -45.36 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 1.98 109.82 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.41 ' HG2' ' HA3' ' B' ' 37' ' ' GLY . 0.8 OUTLIER -59.62 -38.47 81.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.386 -0.825 . . . . 1.93 111.06 177.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -63.37 -46.05 88.29 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.668 -0.493 . . . . 1.22 109.668 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -68.52 -35.25 77.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.68 . . . . 3.5 110.391 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -73.05 -35.93 66.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.84 -0.618 . . . . 2.69 111.416 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.28 42.81 2.69 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.836 -0.697 . . . . 0.53 112.258 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.41 ' HA3' ' HG2' ' B' ' 32' ' ' GLN . . . -64.72 -65.47 2.95 Favored Glycine 0 C--O 1.235 0.172 0 C-N-CA 121.009 -0.615 . . . . 0.53 112.986 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 38' ' ' LEU . 4.2 mm? -81.95 -174.91 5.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.688 0.28 . . . . 0.83 111.157 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 32.2 m -77.1 177.92 7.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.458 -0.337 . . . . 1.42 111.891 -177.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 7.0 p -60.0 -63.66 1.22 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.322 -0.399 . . . . 1.63 112.052 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.75 -32.83 73.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.189 0.519 . . . . 2.21 110.604 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.1 64.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.496 -0.774 . . . . 0.54 110.827 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -52.21 -60.22 3.46 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 112.716 0.635 . . . . 1.57 112.716 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 48' ' ' VAL . 9.5 pt-20 -53.61 -44.52 69.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.58 -0.282 . . . . 2.36 111.728 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -65.76 -34.68 78.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.532 0.682 . . . . 1.04 110.092 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.544 HD11 HD23 ' B' ' 29' ' ' LEU . 22.0 tp -70.25 -35.45 73.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.143 -0.935 . . . . 1.28 110.658 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.09 -38.98 92.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.116 0.484 . . . . 1.75 109.806 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 44' ' ' GLU . 54.3 t -62.8 -42.47 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.797 -0.638 . . . . 0.49 109.643 175.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' A' ' 52' ' ' CYS . . . -56.91 -40.64 76.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.761 -0.654 . . . . 0.48 111.208 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.49 HG13 ' O ' ' B' ' 46' ' ' LEU . 70.8 mt -55.36 -52.86 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.62 110.993 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.75 -27.76 65.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 1.84 111.577 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.423 ' CB ' ' HB2' ' A' ' 49' ' ' ALA . 70.9 m -70.76 -45.7 64.28 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.007 -0.277 . . . . 0.69 110.509 177.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.32 -41.97 98.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.16 0.505 . . . . 0.76 109.668 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -49.9 -56.02 12.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.762 -1.108 . . . . 1.66 110.746 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 27.5 m -69.89 -34.73 73.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.32 -0.855 . . . . 1.15 111.627 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.28 -56.6 13.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 1.14 112.059 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -80.25 -5.44 56.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.81 0.338 . . . . 2.06 111.183 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.73 32.52 70.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.902 -0.666 . . . . 2.6 111.834 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -104.64 148.44 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.99 0.424 . . . . 1.35 111.021 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 30.2 p -138.26 -170.26 2.77 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.532 -0.758 . . . . 2.38 110.219 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.3 p -60.67 -21.12 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.931 0.396 . . . . 2.21 110.511 175.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -63.76 -42.47 97.8 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.524 0.678 . . . . 4.0 109.883 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -73.47 -15.23 61.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.585 -0.734 . . . . 3.62 110.112 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 15.4 m -86.5 -12.68 48.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.708 -0.678 . . . . 2.92 109.859 175.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' ALA . 27.3 t70 -81.17 -32.42 33.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.966 -0.561 . . . . 3.46 110.262 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.5 27.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.184 0.516 . . . . 1.87 110.691 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.481 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -48.78 133.12 17.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.015 -0.993 . . . . 1.54 112.679 -176.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 63.4 mt -73.32 158.52 86.6 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 114.832 -1.076 . . . . 1.56 110.042 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -40.64 -46.66 4.65 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.606 2.871 . . . . 2.75 113.699 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -128.61 154.47 46.19 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.604 -0.517 . . . . 2.76 109.604 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.83 143.55 54.54 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.66 0.743 . . . . 1.55 110.128 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.823 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 37.1 mt -74.3 -35.01 2.11 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 114.95 -1.023 . . . . 1.79 113.654 -170.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -50.46 -30.56 27.81 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.47 1.447 . . . . 1.06 112.746 171.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.31 -38.75 63.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.657 0.265 . . . . 2.27 110.375 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' B' ' 72' ' ' LEU . 20.8 mm -54.37 -48.02 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 121.273 0.558 . . . . 1.37 109.912 173.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.829 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -63.62 -40.16 96.2 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.329 -0.851 . . . . 2.37 111.211 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.36 -30.34 70.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.24 0.543 . . . . 2.51 110.237 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.65 -52.47 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.835 -0.62 . . . . 0.64 112.064 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.83 -44.51 10.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.812 0.671 . . . . 0.99 112.812 -170.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.86 -11.67 60.91 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 112.325 0.491 . . . . 1.55 112.325 -169.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -70.71 1.8 4.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.625 0.602 . . . . 2.33 112.625 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.38 156.08 9.64 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.777 -0.725 . . . . 2.59 112.443 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.822 -0.609 . . . . 4.4 111.717 179.553 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 47.3 ttp . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.278 -0.267 . . . . 3.68 110.278 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -105.23 130.48 53.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.067 0.46 . . . . 2.4 111.381 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.549 HD21 ' HB3' ' B' ' 76' ' ' PHE . 2.4 t-20 -82.34 -41.98 19.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.358 -0.837 . . . . 2.52 111.077 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -62.38 -48.1 81.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.975 -0.557 . . . . 1.9 111.812 -172.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -68.89 -28.22 66.49 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.786 -0.366 . . . . 1.49 111.313 -179.042 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.523 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 95.8 mtt180 -75.73 -36.22 59.99 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.761 -0.375 . . . . 2.34 110.137 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.92 -45.17 91.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.58 -0.737 . . . . 0.7 110.601 175.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -57.6 -65.96 0.55 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.83 112.664 -176.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.561 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 3.2 p90 -62.95 -33.34 75.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 2.99 110.626 -172.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB1' ' CG ' ' A' ' 72' ' ' LEU . . . -61.86 -42.47 99.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.662 -0.699 . . . . 1.14 111.194 -179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 55.5 mt -68.56 -36.25 73.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.839 -0.619 . . . . 0.97 109.923 175.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 23' ' ' TYR . 65.9 mt -58.82 -38.79 74.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.324 -0.398 . . . . 0.78 110.193 174.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 31.2 mm-40 -54.51 -52.09 63.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.349 0.595 . . . . 1.58 110.638 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.489 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 66.2 t80 -69.22 -48.15 62.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.358 -0.837 . . . . 1.98 110.567 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.563 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 8.6 mp -61.16 -30.75 70.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.7 111.753 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -59.92 -57.74 11.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.111 0.482 . . . . 1.41 110.71 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -34.69 71.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.938 -0.574 . . . . 1.98 110.652 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' A' ' 29' ' ' LEU . 8.2 tt0 -64.37 -32.87 74.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.768 -0.651 . . . . 1.92 110.467 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -62.51 -54.15 44.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.622 -0.717 . . . . 1.22 109.599 178.664 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.502 -0.772 . . . . 3.49 111.017 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -83.39 -15.17 50.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 2.68 111.021 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.77 42.89 15.89 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.113 -0.565 . . . . 0.53 112.42 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.5 -44.48 96.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.062 -0.59 . . . . 0.52 112.988 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.42 HD23 HD11 ' A' ' 46' ' ' LEU . 4.3 mm? -100.04 -176.08 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.571 0.224 . . . . 0.83 110.818 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -73.62 -176.84 2.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.378 -0.373 . . . . 1.42 110.895 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 p -62.92 -60.92 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.001 0.371 . . . . 1.63 112.001 -175.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.32 -37.56 85.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.291 0.567 . . . . 2.2 110.444 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -60.99 -39.17 88.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.287 -0.869 . . . . 0.54 110.929 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.541 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.9 tt0 -59.47 -53.6 56.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.713 -0.676 . . . . 1.56 110.316 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -56.99 -34.22 67.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.024 -0.535 . . . . 2.36 110.732 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -70.07 -27.46 64.64 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.698 -0.683 . . . . 1.04 111.232 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.601 ' HB2' HD23 ' A' ' 33' ' ' LEU . 55.7 mt -62.94 -49.46 74.66 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 109.774 -0.454 . . . . 1.28 109.774 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.63 -42.4 83.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 1.76 110.751 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.0 -48.89 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.49 110.2 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -36.94 80.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.806 -0.634 . . . . 0.48 111.367 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 46' ' ' LEU . 63.5 mt -55.57 -52.52 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.61 110.525 176.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -64.9 -35.73 82.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 1.84 110.57 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.1 m -66.02 -51.69 56.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.69 110.973 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.458 HD11 HD11 ' B' ' 53' ' ' LEU . 28.6 mt -67.71 -35.73 79.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.392 0.139 . . . . 0.76 111.209 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 28.4 tt0 -56.96 -50.45 72.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.186 0.517 . . . . 1.65 109.684 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.7 m -72.11 -28.21 63.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.445 -0.798 . . . . 1.16 111.249 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.55 ' HB1' HD23 ' B' ' 46' ' ' LEU . . . -74.54 -56.05 5.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.168 -0.469 . . . . 1.15 112.015 -176.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 46.6 m-85 -73.81 -12.61 60.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.955 0.407 . . . . 2.05 111.033 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.14 34.99 31.56 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.815 -0.63 . . . . 2.6 111.91 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.447 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 27.7 m -107.51 163.06 5.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.676 0.274 . . . . 1.35 110.479 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.0 p -142.58 -172.48 3.64 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.007 -0.542 . . . . 2.38 110.317 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 64' ' ' SER . 14.4 p -67.83 -18.68 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.214 0.531 . . . . 2.21 110.34 174.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.65 -39.4 80.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 4.01 109.739 173.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -71.41 -20.02 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.585 -0.734 . . . . 3.62 109.529 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 38.7 t -76.02 -23.55 55.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.319 -0.855 . . . . 2.91 110.034 173.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -72.39 -34.85 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 3.46 110.733 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp -82.08 26.92 0.5 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.362 -0.381 . . . . 1.87 111.364 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -52.19 133.19 34.02 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.986 0.735 . . . . 1.53 112.986 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.446 HD12 HD11 ' A' ' 72' ' ' LEU . 86.2 mt -67.39 145.37 98.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.359 -0.837 . . . . 1.55 110.333 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.22 -49.8 15.77 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.156 2.571 . . . . 2.74 112.528 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.496 HE22 ' HB3' ' B' ' 83' ' ' LYS . 22.1 pt20 -75.56 141.29 42.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.348 -0.842 . . . . 2.75 110.24 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.568 ' O ' HG12 ' A' ' 75' ' ' ILE . 2.3 p -76.36 135.09 39.51 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.541 -0.54 . . . . 1.55 109.541 174.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD11 HD12 ' A' ' 68' ' ' LEU . 3.8 mm? -81.36 -50.1 0.95 Allowed Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 113.562 0.949 . . . . 1.79 113.562 -165.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.555 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 68.5 Cg_exo -57.08 -28.91 81.08 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 121.046 1.164 . . . . 1.07 111.955 172.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.75 -45.4 64.88 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.966 0.412 . . . . 2.28 110.223 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 71' ' ' THR . 23.6 mm -58.34 -38.24 68.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.564 0.697 . . . . 1.38 109.759 173.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.534 ' HB3' HD21 ' B' ' 17' ' ' ASN . 2.2 t80 -63.97 -31.35 72.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.046 -0.979 . . . . 2.36 110.24 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 43.3 mt-10 -67.58 -42.86 81.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.095 0.474 . . . . 2.52 110.557 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.02 -51.64 15.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.073 -0.512 . . . . 0.65 111.844 -176.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.79 -64.23 1.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 0.99 111.703 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.68 69.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.707 -0.678 . . . . 1.56 111.922 -171.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 77' ' ' GLU . 3.7 m -95.75 -8.67 33.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.329 0.585 . . . . 2.33 110.617 -178.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.14 -36.27 6.03 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.877 -0.677 . . . . 2.59 112.312 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HB3' HE22 ' B' ' 70' ' ' GLN . 28.8 tptp . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.384 -0.817 . . . . 4.41 110.015 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.714 0.292 . . . . 3.68 110.404 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -105.08 130.63 53.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.13 0.491 . . . . 2.42 111.307 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.534 HD21 ' HB3' ' A' ' 76' ' ' PHE . 2.4 t-20 -82.52 -42.17 18.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.319 -0.855 . . . . 2.52 110.902 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' B' ' 18' ' ' LYS . 13.5 mptt -62.25 -48.1 81.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 1.89 111.753 -172.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.523 ' HD3' ' N ' ' B' ' 20' ' ' ARG . 0.1 OUTLIER -68.94 -28.23 66.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.703 -0.399 . . . . 1.49 111.329 -178.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.523 ' N ' ' HD3' ' B' ' 19' ' ' LYS . 95.8 mtt180 -75.63 -36.32 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 2.34 110.14 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.81 -45.21 90.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.587 -0.733 . . . . 0.7 110.628 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.574 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -57.59 -66.05 0.53 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.74 -0.664 . . . . 0.83 112.615 -176.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.567 ' OH ' ' HA ' ' B' ' 67' ' ' ALA . 3.2 p90 -62.84 -33.41 75.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 2.99 110.623 -172.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.424 ' HB1' ' CG ' ' B' ' 72' ' ' LEU . . . -61.76 -42.61 99.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.575 -0.739 . . . . 1.14 111.118 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 55.8 mt -68.56 -36.21 73.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.887 -0.597 . . . . 0.97 109.935 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' B' ' 23' ' ' TYR . 65.8 mt -58.85 -38.84 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.307 -0.406 . . . . 0.78 110.208 174.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 23' ' ' TYR . 31.4 mm-40 -54.32 -52.3 61.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.338 0.589 . . . . 1.58 110.667 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.478 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 66.1 t80 -69.21 -47.99 63.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.314 -0.857 . . . . 1.98 110.605 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.549 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 8.6 mp -61.18 -30.79 70.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.421 . . . . 0.7 111.754 -178.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -59.86 -57.68 11.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.1 0.476 . . . . 1.41 110.724 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -34.89 71.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.94 -0.573 . . . . 1.98 110.63 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.444 HE21 ' HA ' ' B' ' 29' ' ' LEU . 8.2 tt0 -64.07 -33.02 74.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.725 -0.67 . . . . 1.93 110.466 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' B' ' 46' ' ' LEU . 0.6 OUTLIER -62.5 -53.89 48.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.654 -0.703 . . . . 1.22 109.606 178.839 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -69.47 -25.65 64.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.479 -0.782 . . . . 3.5 110.909 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -83.81 -14.82 50.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.867 0.365 . . . . 2.69 111.099 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.82 42.29 17.13 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.971 -0.633 . . . . 0.53 112.449 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.97 -44.97 96.6 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.96 -0.638 . . . . 0.53 113.015 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.416 HD23 HD11 ' B' ' 46' ' ' LEU . 4.3 mm? -99.57 -176.08 3.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.613 0.244 . . . . 0.83 110.84 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -73.58 -177.02 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 1.42 110.799 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.0 p -62.64 -61.19 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.045 0.387 . . . . 1.63 112.045 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -66.04 -37.6 86.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.27 0.557 . . . . 2.21 110.478 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -61.03 -39.05 88.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.385 -0.825 . . . . 0.54 110.97 178.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.551 ' O ' HD21 ' B' ' 33' ' ' LEU . 8.9 tt0 -59.54 -53.69 55.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.657 -0.701 . . . . 1.57 110.299 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -56.93 -34.03 67.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 2.36 110.785 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -70.42 -27.31 64.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.706 -0.679 . . . . 1.04 111.155 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.582 ' HB2' HD23 ' B' ' 33' ' ' LEU . 56.3 mt -62.93 -49.57 74.25 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.847 -0.427 . . . . 1.28 109.847 176.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.73 -42.28 83.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.791 -0.64 . . . . 1.75 110.818 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.01 -48.84 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.49 110.216 177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.92 80.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.636 . . . . 0.48 111.386 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.444 HG13 ' O ' ' B' ' 46' ' ' LEU . 63.5 mt -55.64 -52.42 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.62 110.565 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -64.87 -36.04 83.06 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.163 -0.471 . . . . 1.84 110.426 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 83.3 m -65.76 -51.83 55.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.69 110.984 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.458 HD11 HD11 ' A' ' 53' ' ' LEU . 29.0 mt -67.62 -35.65 79.33 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.348 -0.141 . . . . 0.76 111.248 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 28.7 tt0 -56.98 -50.46 72.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.267 0.555 . . . . 1.66 109.682 177.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.9 m -72.18 -28.2 63.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.413 -0.812 . . . . 1.15 111.263 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.546 ' HB1' HD23 ' A' ' 46' ' ' LEU . . . -74.66 -56.02 5.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.509 . . . . 1.14 111.972 -176.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 47.3 m-85 -73.68 -12.77 60.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.846 0.355 . . . . 2.06 111.085 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.17 35.19 30.95 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.993 -0.622 . . . . 2.6 111.909 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 28.2 m -107.7 162.41 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.747 0.308 . . . . 1.35 110.368 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.7 p -141.68 -172.28 3.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.784 -0.644 . . . . 2.38 110.424 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' B' ' 64' ' ' SER . 14.3 p -68.05 -18.44 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.27 0.557 . . . . 2.21 110.317 174.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.71 -39.39 80.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 4.0 109.761 173.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.28 -20.06 62.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.538 -0.755 . . . . 3.62 109.657 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.488 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 38.4 t -76.01 -23.38 55.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.387 -0.824 . . . . 2.92 110.074 173.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.64 -34.73 67.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 3.46 110.775 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -81.83 26.34 0.51 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.311 -0.404 . . . . 1.87 111.45 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.567 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -51.85 133.01 32.29 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.012 0.745 . . . . 1.54 113.012 -176.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.45 HD12 HD11 ' B' ' 72' ' ' LEU . 86.0 mt -67.28 145.46 98.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.22 -0.9 . . . . 1.56 110.29 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.57 -49.33 17.22 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 123.06 2.507 . . . . 2.75 112.667 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . 0.476 HE22 ' HB3' ' A' ' 83' ' ' LYS . 22.1 pt20 -75.92 141.75 42.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.359 -0.837 . . . . 2.76 110.108 -177.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.615 ' O ' HG12 ' B' ' 75' ' ' ILE . 1.6 p -76.92 140.36 40.49 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.553 -0.906 . . . . 1.55 108.553 175.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.458 ' HB2' ' HD3' ' B' ' 73' ' ' PRO . 3.8 mm? -84.03 -50.76 0.62 Allowed Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 113.578 0.955 . . . . 1.79 113.578 -166.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.551 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 69.9 Cg_exo -56.98 -28.84 80.19 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 121.194 1.263 . . . . 1.06 111.862 173.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -70.96 -45.27 64.41 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.886 0.374 . . . . 2.27 110.292 176.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.615 HG12 ' O ' ' B' ' 71' ' ' THR . 23.6 mm -58.28 -38.34 68.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 1.37 109.884 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.549 ' HB3' HD21 ' A' ' 17' ' ' ASN . 2.2 t80 -63.91 -31.33 72.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.025 -0.988 . . . . 2.37 110.257 178.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.554 ' O ' ' HB ' ' B' ' 81' ' ' THR . 43.7 mt-10 -67.49 -42.95 82.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.017 0.436 . . . . 2.51 110.54 176.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.01 -51.72 15.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.951 -0.568 . . . . 0.64 111.664 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.35 -62.52 1.63 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.097 0.475 . . . . 0.99 111.905 -175.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.69 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.852 -0.613 . . . . 1.55 111.815 -171.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' B' ' 77' ' ' GLU . 3.8 m -95.6 -8.83 33.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.249 0.547 . . . . 2.33 110.626 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.08 -36.28 6.04 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.856 -0.688 . . . . 2.59 112.276 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . 0.496 ' HB3' HE22 ' A' ' 70' ' ' GLN . 28.8 tptp . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.383 -0.817 . . . . 4.4 109.883 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.996 0.426 . . . . 3.68 110.454 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -59.55 127.26 31.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.83 -0.623 . . . . 2.4 111.142 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -66.93 -33.77 76.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.684 -0.689 . . . . 2.52 110.26 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.86 -48.85 79.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.858 -0.61 . . . . 1.9 111.629 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB2' ' HE3' ' A' ' 19' ' ' LYS . 20.4 ptmt -69.6 -35.92 75.74 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.901 -0.32 . . . . 1.49 111.166 -177.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 48.0 mtm105 -72.04 -33.99 68.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.097 0.475 . . . . 2.34 110.384 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.664 HD13 ' CD2' ' B' ' 76' ' ' PHE . 6.1 tp -59.56 -47.76 84.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.176 -0.92 . . . . 0.7 110.832 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -60.65 -62.26 1.99 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.815 0.672 . . . . 0.83 112.815 -175.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 4.2 p90 -60.74 -37.97 83.6 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.891 0.377 . . . . 2.99 111.325 -170.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.15 99.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.986 -0.552 . . . . 1.14 110.969 -177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.3 mt -72.43 -38.34 60.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.078 -0.51 . . . . 0.97 109.908 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.557 HG23 HG23 ' A' ' 50' ' ' ILE . 48.4 mt -53.33 -49.45 52.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.78 111.496 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' HIS . 16.7 mm100 -60.02 -45.32 93.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 1.58 111.162 -178.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -66.69 -37.88 85.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.244 0.545 . . . . 1.98 110.689 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.506 ' HA ' HE21 ' A' ' 32' ' ' GLN . 7.2 mp -70.9 -28.18 64.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 0.7 110.823 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' A' ' 27' ' ' GLN . 35.6 t-80 -61.44 -46.04 91.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 1.41 110.103 174.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.15 -50.75 70.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 1.98 110.204 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 29' ' ' LEU . 19.2 mt-30 -52.68 -40.93 63.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 1.92 111.521 176.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -51.38 69.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.687 -0.688 . . . . 1.22 111.006 -176.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -91.59 -14.56 30.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.327 0.492 . . . . 3.49 112.327 -171.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -93.29 -7.42 45.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 2.68 111.143 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.59 43.05 10.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.53 112.667 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.39 -73.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.52 111.795 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 38' ' ' LEU . 3.2 mm? -69.02 170.56 9.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.255 -0.276 . . . . 0.83 110.255 174.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -71.25 165.5 23.53 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.304 -0.258 . . . . 1.42 110.304 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -57.44 -54.16 49.97 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.747 0.277 . . . . 1.63 111.747 -174.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.85 -36.15 74.11 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.269 0.557 . . . . 2.2 110.547 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' B' ' 56' ' ' ALA . . . -67.05 -48.0 69.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.331 -0.85 . . . . 0.54 110.514 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -49.22 -58.24 5.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.69 -0.686 . . . . 1.56 111.779 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.1 mt-10 -43.32 -53.59 5.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.314 -0.857 . . . . 2.36 111.92 177.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.9 t -73.81 -28.11 61.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.47 . . . . 1.04 110.639 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.85 -44.22 90.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 1.28 110.894 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.94 -36.14 81.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.844 0.354 . . . . 1.76 110.112 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 44' ' ' GLU . 94.5 t -60.43 -44.45 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.71 -0.478 . . . . 0.49 109.71 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -58.65 -39.72 81.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.713 -0.676 . . . . 0.48 111.18 178.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.557 HG23 HG23 ' A' ' 26' ' ' ILE . 68.6 mt -54.92 -57.23 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.61 111.261 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -63.6 -31.74 73.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.467 -0.333 . . . . 1.84 111.72 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.1 m -69.11 -44.95 71.4 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.091 -0.244 . . . . 0.69 110.676 178.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 95.8 mt -61.96 -39.75 93.21 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.056 0.455 . . . . 0.76 109.957 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -52.56 -55.97 18.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.132 -0.94 . . . . 1.65 110.831 177.146 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.7 m -72.17 -34.99 68.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.211 -0.45 . . . . 1.16 111.314 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.5 64.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.365 -0.38 . . . . 1.15 111.467 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 79.0 m-85 -82.56 -10.19 59.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.852 0.358 . . . . 2.05 111.371 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.16 28.17 66.87 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.065 -0.588 . . . . 2.6 111.912 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.592 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 29.8 m -100.6 156.78 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.919 0.39 . . . . 1.35 110.577 -177.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.9 p -137.96 -174.64 3.84 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.86 -0.609 . . . . 2.38 110.609 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.09 -22.9 32.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.956 0.408 . . . . 2.21 110.428 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HA ' ' OD2' ' A' ' 65' ' ' ASP . 33.5 mm-40 -64.12 -39.9 95.03 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.823 0.821 . . . . 4.01 109.775 175.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -72.12 -11.08 60.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.142 -0.935 . . . . 3.62 110.179 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.551 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 31.7 t -87.98 -18.84 28.15 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.683 -0.689 . . . . 2.91 109.743 175.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 67' ' ' ALA . 33.7 m-20 -72.14 -34.51 68.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.222 -0.444 . . . . 3.46 110.303 176.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.93 27.46 0.23 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.186 -0.461 . . . . 1.87 110.945 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -48.42 130.45 16.65 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.254 -0.885 . . . . 1.53 112.78 -176.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.503 HD12 HD11 ' A' ' 72' ' ' LEU . 96.4 mt -69.85 159.08 85.49 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 114.939 -1.028 . . . . 1.55 110.548 177.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -44.81 -50.57 8.33 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.311 2.674 . . . . 2.74 113.321 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -118.43 152.63 35.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.036 -0.529 . . . . 2.75 109.951 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.3 p -73.17 141.4 47.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.461 0.648 . . . . 1.55 110.074 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.655 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 10.1 mp -69.98 -42.59 17.93 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.115 -0.948 . . . . 1.79 113.082 -172.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.45 -31.38 68.4 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.465 1.443 . . . . 1.07 112.197 171.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -74.52 -37.69 63.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.75 0.31 . . . . 2.28 110.227 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.1 mt -55.56 -51.02 62.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.343 0.592 . . . . 1.38 110.242 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.667 ' CD2' HD13 ' B' ' 21' ' ' LEU . 0.9 OUTLIER -61.78 -36.27 80.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.35 -0.841 . . . . 2.36 111.975 -178.785 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -54.54 -35.41 63.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.098 0.475 . . . . 2.52 109.862 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.62 -55.6 3.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.081 -0.509 . . . . 0.65 111.528 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.85 -57.36 4.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.627 0.602 . . . . 0.99 112.627 -172.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.37 -21.71 61.25 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.301 0.482 . . . . 1.56 112.301 -169.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.451 ' HA ' ' NH1' ' B' ' 20' ' ' ARG . 50.7 m -74.63 -28.41 60.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.711 0.263 . . . . 2.33 111.711 -178.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -176.66 115.46 0.52 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 119.671 -1.252 . . . . 2.59 113.368 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.74 -0.647 . . . . 4.41 109.386 173.204 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.963 0.411 . . . . 3.68 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.75 127.41 31.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.83 -0.623 . . . . 2.42 111.119 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -66.98 -33.78 76.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.693 -0.685 . . . . 2.52 110.227 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.87 -48.83 80.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.888 -0.596 . . . . 1.89 111.609 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' B' ' 19' ' ' LYS . 20.4 ptmt -69.58 -35.88 75.76 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.899 -0.32 . . . . 1.49 111.2 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.451 ' NH1' ' HA ' ' A' ' 81' ' ' THR . 48.0 mtm105 -72.1 -34.01 68.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.163 0.506 . . . . 2.34 110.397 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.667 HD13 ' CD2' ' A' ' 76' ' ' PHE . 6.1 tp -59.51 -47.81 84.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.189 -0.914 . . . . 0.7 110.771 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.48 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -60.7 -62.24 2.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.741 0.645 . . . . 0.83 112.741 -175.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.556 ' CD1' ' HA ' ' B' ' 64' ' ' SER . 4.3 p90 -60.84 -38.01 84.03 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.904 0.383 . . . . 2.99 111.221 -170.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.31 99.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.54 . . . . 1.14 110.975 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 46.4 mt -72.29 -38.38 61.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.096 -0.502 . . . . 0.97 109.964 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.573 HG23 HG23 ' B' ' 50' ' ' ILE . 47.8 mt -53.27 -49.57 51.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.504 . . . . 0.78 111.443 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -60.0 -45.32 93.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.712 0.292 . . . . 1.58 111.193 -178.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -66.76 -37.76 85.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.146 0.498 . . . . 1.98 110.665 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.5 ' HA ' HE21 ' B' ' 32' ' ' GLN . 7.2 mp -70.76 -28.29 64.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.022 -0.536 . . . . 0.7 110.86 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -61.52 -46.0 91.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 1.41 110.147 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.24 -50.58 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 1.98 110.162 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.5 HE21 ' HA ' ' B' ' 29' ' ' LEU . 19.1 mt-30 -52.72 -41.02 63.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 1.93 111.478 176.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -51.67 68.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.75 -0.659 . . . . 1.22 110.94 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -91.65 -14.17 30.56 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.347 0.499 . . . . 3.5 112.347 -171.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -93.53 -7.42 44.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.322 . . . . 2.69 111.104 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.81 42.51 11.11 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.799 -0.715 . . . . 0.53 112.696 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.81 -74.29 0.67 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.862 -0.685 . . . . 0.53 111.674 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.437 HD22 ' N ' ' B' ' 38' ' ' LEU . 3.2 mm? -68.58 170.36 9.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.336 -0.246 . . . . 0.83 110.336 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -70.98 165.5 23.28 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.377 -0.231 . . . . 1.42 110.377 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 33.1 t -57.68 -53.99 51.93 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.641 0.238 . . . . 1.63 111.641 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.71 -36.26 73.98 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.296 0.57 . . . . 2.21 110.553 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.06 -48.03 69.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.272 -0.876 . . . . 0.54 110.442 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -49.25 -58.14 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.407 0.683 . . . . 1.57 111.777 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.453 ' O ' HG23 ' B' ' 48' ' ' VAL . 41.3 mt-10 -43.42 -53.52 5.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.279 -0.873 . . . . 2.36 111.897 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 13.0 t -73.84 -28.18 61.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.131 0.491 . . . . 1.04 110.603 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.75 -44.33 90.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.806 -0.633 . . . . 1.28 110.922 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.84 -36.17 81.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 1.75 110.123 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 44' ' ' GLU . 99.4 t -60.51 -44.37 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.735 -0.468 . . . . 0.49 109.735 174.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -58.57 -39.76 81.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.654 -0.703 . . . . 0.48 111.235 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.573 HG23 HG23 ' B' ' 26' ' ' ILE . 68.2 mt -54.96 -57.22 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.62 111.285 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -63.54 -31.78 73.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 1.84 111.705 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 49' ' ' ALA . 71.7 m -69.09 -44.9 71.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.754 -0.203 . . . . 0.69 110.654 178.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 95.8 mt -62.16 -39.73 93.63 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.074 0.464 . . . . 0.76 109.941 176.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 0.1 OUTLIER -52.4 -56.07 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.091 -0.959 . . . . 1.66 110.774 177.066 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 22.1 m -72.18 -35.15 68.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.298 -0.41 . . . . 1.15 111.3 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.415 ' O ' ' HB1' ' A' ' 42' ' ' ALA . . . -60.65 -52.45 65.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.981 0.42 . . . . 1.14 111.646 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.48 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 79.5 m-85 -82.58 -10.04 59.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 2.06 111.424 -178.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.04 28.18 67.09 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.927 -0.654 . . . . 2.6 111.9 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.593 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 30.7 m -100.59 156.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.722 0.296 . . . . 1.35 110.652 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 24.2 p -138.14 -174.48 3.81 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.977 -0.556 . . . . 2.38 110.487 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.38 -22.65 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.969 0.414 . . . . 2.21 110.414 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.423 ' HA ' ' OD2' ' B' ' 65' ' ' ASP . 33.2 mm-40 -64.24 -39.82 94.74 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.877 0.846 . . . . 4.0 109.757 175.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.18 -11.16 60.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.113 -0.949 . . . . 3.62 110.091 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.556 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 30.9 t -87.88 -18.99 27.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.679 -0.692 . . . . 2.92 109.694 175.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' ALA . 32.8 m-20 -72.1 -34.39 68.59 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.261 -0.427 . . . . 3.46 110.323 177.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.67 26.66 0.23 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.173 -0.467 . . . . 1.87 111.088 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.472 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -47.75 130.34 14.51 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.226 -0.897 . . . . 1.54 112.926 -176.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.499 HD12 HD11 ' B' ' 72' ' ' LEU . 96.4 mt -69.85 159.02 85.71 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.98 -1.009 . . . . 1.56 110.611 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -45.17 -49.72 9.75 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.258 2.639 . . . . 2.75 113.422 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -118.94 152.82 35.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.474 . . . . 2.76 109.897 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -73.6 144.23 46.06 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.505 0.669 . . . . 1.55 109.584 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.655 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 10.1 mp -72.14 -42.4 9.4 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.129 -0.941 . . . . 1.79 112.93 -172.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.32 -31.48 67.53 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.447 1.432 . . . . 1.06 112.259 171.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -74.59 -37.56 62.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.451 -0.341 . . . . 2.27 110.267 178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.77 -50.99 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.228 0 CA-C-O 121.275 0.559 . . . . 1.37 110.069 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.664 ' CD2' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -61.81 -36.26 80.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.372 -0.831 . . . . 2.37 111.975 -178.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -54.48 -35.6 63.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.177 -0.465 . . . . 2.51 109.954 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.33 -55.56 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.154 -0.475 . . . . 0.64 111.569 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.06 -57.02 4.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.782 0.66 . . . . 0.99 112.782 -172.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.58 -21.87 61.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.233 0.457 . . . . 1.55 112.233 -169.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.429 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 52.1 m -74.45 -28.77 61.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.699 0.259 . . . . 2.33 111.699 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -176.45 115.24 0.51 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.679 -1.248 . . . . 2.59 113.393 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.599 -0.715 . . . . 4.4 109.335 173.137 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.194 -0.669 . . . . 3.68 109.194 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -65.31 114.26 4.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.399 -0.364 . . . . 2.4 111.386 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.457 HD22 ' HB3' ' B' ' 76' ' ' PHE . 21.4 p-10 -70.24 -21.09 63.03 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.387 -0.597 . . . . 2.52 109.387 175.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 7.4 mmmm -57.4 -57.75 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.842 -1.072 . . . . 1.9 111.275 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.47 -40.17 92.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.259 -0.428 . . . . 1.49 111.23 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 42.3 mtm180 -71.55 -23.88 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 2.34 110.878 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 11.8 tp -65.57 -43.41 89.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.717 -0.674 . . . . 0.7 110.402 174.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -61.94 -61.52 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.688 -0.687 . . . . 0.83 112.231 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.652 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 4.4 p90 -62.2 -35.22 78.19 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.041 0.448 . . . . 2.99 110.771 -173.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 72' ' ' LEU . . . -59.42 -47.26 86.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.594 -0.73 . . . . 1.14 110.969 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.411 HG23 HD13 ' A' ' 29' ' ' LEU . 51.6 mt -67.55 -38.86 81.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.636 -0.711 . . . . 0.97 110.157 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 22' ' ' ALA . 64.7 mt -55.03 -51.21 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.78 111.247 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -58.29 -52.88 63.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 1.58 111.489 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.42 -46.87 88.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.946 -0.57 . . . . 1.98 110.82 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.61 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.1 mp -70.67 -25.75 63.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.324 -0.398 . . . . 0.7 111.582 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -65.89 -53.52 38.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.96 0.41 . . . . 1.41 110.537 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.99 -47.54 79.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.07 -0.514 . . . . 1.98 110.287 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.512 HE21 ' HA ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -57.02 -34.37 68.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.571 -0.741 . . . . 1.92 111.175 178.349 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.1 -40.37 97.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 1.22 110.356 -177.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -78.08 -26.76 48.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.24 -0.436 . . . . 3.49 110.834 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -75.79 -32.02 59.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 2.68 110.982 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.65 41.87 4.63 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.707 -0.679 . . . . 0.53 111.869 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' HA3' ' HG2' ' A' ' 32' ' ' GLN . . . -63.91 -54.16 32.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.971 -0.633 . . . . 0.52 112.47 -178.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.17 -178.78 5.74 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.193 -0.299 . . . . 0.83 110.193 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 t -73.26 171.5 12.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.911 -0.131 . . . . 1.42 110.746 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -58.83 -52.62 64.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.905 0.335 . . . . 1.63 111.905 -174.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.1 -31.77 71.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.229 0.538 . . . . 2.2 110.454 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -67.38 -40.96 85.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.828 -0.624 . . . . 0.54 110.673 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.538 ' O ' HD21 ' A' ' 33' ' ' LEU . 38.5 mt-30 -52.23 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.843 -0.617 . . . . 1.56 111.645 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 47' ' ' GLU . 11.0 pt-20 -53.98 -31.74 51.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.771 -0.65 . . . . 2.36 111.821 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.4 m -67.53 -36.83 81.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.451 0.167 . . . . 1.04 110.913 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 63.9 mt -62.99 -41.15 99.49 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.929 -0.397 . . . . 1.28 109.929 177.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' OE1' ' HA ' ' A' ' 44' ' ' GLU . 48.5 mt-10 -57.54 -52.96 63.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 1.76 110.613 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 44' ' ' GLU . 37.1 t -57.02 -41.62 77.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.999 0.428 . . . . 0.49 110.243 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.497 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -62.69 -43.63 98.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.914 -0.585 . . . . 0.48 110.788 176.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 46' ' ' LEU . 52.2 mt -57.0 -50.94 74.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.026 -0.534 . . . . 0.61 111.162 179.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.96 -42.17 84.45 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.941 0.4 . . . . 1.84 110.691 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 77.1 m -66.04 -47.47 74.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.541 . . . . 0.69 111.151 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 92.3 mt -60.94 -44.17 97.64 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.814 0.34 . . . . 0.76 110.514 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 37.7 tt0 -57.49 -49.66 75.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 1.65 110.712 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.4 m -69.26 -29.69 67.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.809 -0.632 . . . . 1.16 111.014 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.39 -62.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 1.15 112.028 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 86.9 m-85 -69.94 -18.11 63.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.542 -0.299 . . . . 2.05 111.746 -175.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.16 27.19 50.23 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.735 -0.745 . . . . 2.6 111.759 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 35.4 m -100.14 151.52 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.595 0.236 . . . . 1.35 110.438 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.0 p -137.91 -171.41 3.0 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.871 -0.418 . . . . 2.38 109.871 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.2 -25.78 38.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.468 . . . . 2.21 110.001 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 65' ' ' ASP . 16.2 mt-10 -68.2 -41.32 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.741 0.782 . . . . 4.01 109.781 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -74.16 -18.25 60.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.33 -0.85 . . . . 3.62 109.279 177.628 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 30.8 t -84.77 -12.65 53.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.321 -0.854 . . . . 2.91 109.845 174.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 29.6 t70 -78.95 -29.29 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.888 -0.596 . . . . 3.46 110.076 178.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.6 pp -81.52 28.78 0.39 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.199 0.524 . . . . 1.87 110.559 173.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -53.61 138.02 35.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.295 -0.866 . . . . 1.53 112.718 -176.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.453 HD12 HD21 ' A' ' 72' ' ' LEU . 93.5 mt -67.53 155.29 91.47 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.109 -0.95 . . . . 1.55 110.585 177.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -43.54 -49.14 7.99 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.865 3.043 . . . . 2.74 113.466 -176.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -118.96 161.47 20.14 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.068 -0.345 . . . . 2.75 110.068 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 p -69.03 142.8 54.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.488 0.661 . . . . 1.55 110.723 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.472 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 3.8 mm? -79.71 -39.16 1.29 Allowed Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.307 -0.86 . . . . 1.79 112.895 -173.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 89.3 Cg_exo -54.42 -29.57 59.54 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.363 1.376 . . . . 1.07 112.159 170.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -68.92 -46.42 68.32 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.203 -0.665 . . . . 2.28 109.203 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.75 -39.5 56.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.868 -0.606 . . . . 1.38 110.252 172.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 1.2 t80 -66.52 -20.09 65.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.491 -0.777 . . . . 2.36 111.238 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 43.5 mt-10 -77.9 -36.17 49.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.043 0.449 . . . . 2.52 110.245 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.06 -58.98 2.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.694 -0.684 . . . . 0.65 112.178 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.79 -37.62 86.79 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.266 0.469 . . . . 0.99 112.266 -172.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -69.64 -21.27 63.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.319 -0.4 . . . . 1.56 111.546 -176.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.5 p -99.29 6.04 46.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.113 0.482 . . . . 2.33 110.747 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.79 79.81 1.5 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.85 -0.69 . . . . 2.59 112.008 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.405 -0.807 . . . . 4.41 109.984 178.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.379 -0.6 . . . . 3.68 109.379 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.17 114.36 4.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.888 0.375 . . . . 2.42 111.41 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.446 HD22 ' HB3' ' A' ' 76' ' ' PHE . 21.2 p-10 -70.32 -21.14 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.359 -0.608 . . . . 2.52 109.359 175.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 7.4 mmmm -57.33 -57.86 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.824 -1.08 . . . . 1.89 111.368 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.25 -40.27 93.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 1.49 111.259 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.582 ' HA ' ' CE2' ' B' ' 23' ' ' TYR . 42.6 mtm180 -71.49 -23.86 61.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 2.34 110.964 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 11.8 tp -65.55 -43.54 89.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.709 -0.678 . . . . 0.7 110.376 174.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.47 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -61.81 -61.5 2.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.83 112.217 -175.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.644 ' OH ' ' HA ' ' B' ' 67' ' ' ALA . 4.3 p90 -62.33 -35.12 78.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.042 0.449 . . . . 2.99 110.769 -173.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' B' ' 72' ' ' LEU . . . -59.47 -47.38 85.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.579 -0.737 . . . . 1.14 111.031 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.433 HG23 HD13 ' B' ' 29' ' ' LEU . 51.4 mt -67.37 -38.91 81.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.639 -0.709 . . . . 0.97 110.099 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 22' ' ' ALA . 64.4 mt -55.1 -51.07 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.78 111.287 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -58.3 -52.68 64.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.779 0.323 . . . . 1.58 111.623 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.76 -46.68 89.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.892 -0.595 . . . . 1.98 110.81 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.1 mp -70.77 -25.64 62.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.245 -0.434 . . . . 0.7 111.564 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -66.01 -53.44 38.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.984 0.421 . . . . 1.41 110.474 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.95 -47.68 79.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.555 . . . . 1.98 110.371 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.515 HE21 ' HA ' ' B' ' 29' ' ' LEU . 0.6 OUTLIER -56.96 -34.26 67.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.505 -0.77 . . . . 1.93 111.167 178.332 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.601 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -63.21 -40.32 97.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.37 -0.377 . . . . 1.22 110.428 -177.567 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -77.96 -26.95 49.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.26 -0.427 . . . . 3.5 110.865 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -75.77 -31.84 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.07 0.462 . . . . 2.69 110.971 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.41 42.13 4.64 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.952 -0.642 . . . . 0.53 111.769 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.405 ' HA3' ' HG2' ' B' ' 32' ' ' GLN . . . -63.91 -54.34 31.44 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.973 -0.632 . . . . 0.53 112.38 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.15 -178.66 5.72 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.152 -0.314 . . . . 0.83 110.152 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.0 t -73.31 171.49 12.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.828 -0.169 . . . . 1.42 110.646 -178.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.1 m -58.86 -52.6 65.04 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 111.873 0.323 . . . . 1.63 111.873 -174.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -68.0 -31.77 71.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.327 0.584 . . . . 2.21 110.504 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -67.5 -40.76 85.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 0.54 110.71 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.549 ' O ' HD21 ' B' ' 33' ' ' LEU . 38.3 mt-30 -52.32 -65.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.817 -0.629 . . . . 1.57 111.588 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' B' ' 47' ' ' GLU . 10.9 pt-20 -53.88 -31.95 51.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.768 -0.651 . . . . 2.36 111.779 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -67.21 -37.06 83.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.539 0.209 . . . . 1.04 110.862 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 63.6 mt -63.09 -41.01 99.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.854 -0.424 . . . . 1.28 109.854 177.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.421 ' OE1' ' HA ' ' B' ' 44' ' ' GLU . 47.5 mt-10 -57.37 -53.26 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.065 -0.516 . . . . 1.75 110.632 179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 44' ' ' GLU . 37.2 t -56.96 -41.55 77.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.49 110.207 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -62.81 -43.5 98.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.48 110.818 176.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 46' ' ' LEU . 52.4 mt -57.02 -50.83 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.999 -0.546 . . . . 0.62 111.234 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.09 -42.07 84.81 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.862 0.363 . . . . 1.84 110.716 178.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 76.7 m -66.06 -47.5 74.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.69 111.12 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 92.4 mt -60.91 -44.1 97.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.76 110.556 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 37.9 tt0 -57.61 -49.57 75.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.744 -0.662 . . . . 1.66 110.738 177.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.4 m -69.47 -29.57 67.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.758 -0.656 . . . . 1.15 110.989 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.25 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 1.14 111.913 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.47 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 86.8 m-85 -69.79 -18.44 63.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 2.06 111.68 -175.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.57 27.08 48.79 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.758 -0.735 . . . . 2.6 111.624 -178.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.575 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 35.5 m -100.09 151.58 5.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.591 0.234 . . . . 1.35 110.39 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 57.1 p -138.16 -171.58 3.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.835 -0.431 . . . . 2.38 109.835 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 8.2 p -62.04 -25.91 38.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.18 0.514 . . . . 2.21 110.0 173.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' B' ' 65' ' ' ASP . 16.2 mt-10 -68.15 -41.08 82.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.763 0.792 . . . . 4.0 109.829 176.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 0.9 OUTLIER -74.48 -18.32 60.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.376 -0.829 . . . . 3.62 109.261 177.608 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 32.7 t -84.57 -12.83 53.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.226 -0.897 . . . . 2.92 109.933 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' B' ' 62' ' ' GLU . 30.0 t70 -78.9 -29.11 44.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.952 -0.567 . . . . 3.46 110.136 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.6 pp -81.09 27.25 0.41 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.226 0.536 . . . . 1.87 110.754 173.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.644 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -52.45 138.04 28.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.248 -0.887 . . . . 1.54 112.744 -176.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.437 HD12 HD21 ' B' ' 72' ' ' LEU . 93.5 mt -67.59 155.27 91.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.09 -0.959 . . . . 1.56 110.607 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -43.49 -49.13 7.93 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.903 3.069 . . . . 2.75 113.573 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -118.91 161.94 19.34 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.062 -0.348 . . . . 2.76 110.062 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 13.9 p -69.77 145.01 52.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.539 0.685 . . . . 1.55 110.352 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 3.8 mm? -81.52 -38.92 0.95 Allowed Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.41 -0.814 . . . . 1.79 112.696 -172.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.502 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 87.7 Cg_exo -54.44 -29.67 60.19 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.289 1.326 . . . . 1.06 112.203 169.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -68.81 -46.65 68.07 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.159 -0.682 . . . . 2.27 109.159 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mm -55.66 -39.34 54.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 1.37 110.325 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 1.2 t80 -66.58 -20.16 65.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.538 -0.756 . . . . 2.37 111.295 -177.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 42.8 mt-10 -77.71 -36.83 50.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.042 0.448 . . . . 2.51 110.189 176.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.37 -59.09 2.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.702 -0.681 . . . . 0.64 112.266 -176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.89 87.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.193 0.442 . . . . 0.99 112.193 -172.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -69.3 -21.4 63.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.304 -0.407 . . . . 1.55 111.643 -176.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 23.3 p -99.38 6.16 46.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.179 0.514 . . . . 2.33 110.765 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.84 80.11 1.49 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.787 -0.721 . . . . 2.59 112.007 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.473 -0.775 . . . . 4.4 109.929 179.006 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.116 0.484 . . . . 3.68 110.487 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -78.25 101.45 7.13 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.719 -0.673 . . . . 2.4 110.575 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.489 ' OD1' ' HB3' ' B' ' 80' ' ' ALA . 7.6 t30 -68.26 -32.56 72.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.738 -0.665 . . . . 2.52 109.694 177.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -54.9 -54.27 44.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.727 -0.67 . . . . 1.9 111.638 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -69.91 -36.76 75.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.524 -0.307 . . . . 1.49 111.735 -175.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.32 -30.94 63.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.158 0.504 . . . . 2.34 110.506 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' B' ' 76' ' ' PHE . 33.9 tp -61.93 -45.46 93.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.417 -0.81 . . . . 0.7 110.374 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.625 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -59.39 -63.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.325 -0.852 . . . . 0.83 112.617 -175.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 4.0 p90 -61.13 -35.28 76.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.997 0.427 . . . . 2.99 110.692 -172.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.62 94.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 1.14 110.818 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.8 mt -68.68 -39.49 80.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.97 110.09 175.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.608 HG23 HG23 ' A' ' 50' ' ' ILE . 67.7 mt -56.79 -53.2 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 0.78 111.473 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -62.86 -36.23 82.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 1.58 111.211 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.438 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 64.4 t80 -67.32 -44.46 79.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.179 -0.464 . . . . 1.98 109.9 176.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.459 ' HA ' HE21 ' A' ' 32' ' ' GLN . 7.9 mp -67.03 -28.42 68.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.7 111.068 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -67.88 -46.12 72.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.973 0.416 . . . . 1.41 110.037 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -66.63 -40.94 88.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.51 0.671 . . . . 1.98 109.852 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' A' ' 29' ' ' LEU . 8.6 tt0 -60.0 -37.06 78.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.853 -1.067 . . . . 1.92 110.468 177.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.602 HD23 ' HB2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -67.96 -46.89 70.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.812 . . . . 1.22 109.601 178.271 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -64.65 -35.15 80.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.518 -0.765 . . . . 3.49 110.927 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -81.36 -18.61 45.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.32 -0.4 . . . . 2.68 111.203 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.44 41.71 24.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.076 -0.583 . . . . 0.53 111.802 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.19 -37.8 95.04 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.317 -0.468 . . . . 0.52 113.558 -174.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 4.4 mm? -100.83 176.6 5.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.817 0.341 . . . . 0.83 111.686 -177.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -72.34 -171.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.656 -0.702 . . . . 1.42 111.14 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 40.5 t -62.94 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.848 0.314 . . . . 1.63 111.848 -174.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -66.38 -30.2 70.53 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.384 0.611 . . . . 2.2 110.071 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 38' ' ' LEU . . . -62.64 -43.33 99.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.012 -0.994 . . . . 0.54 110.934 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.48 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.7 tt0 -62.8 -44.25 96.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 1.56 110.381 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 40' ' ' SER . 6.2 mm-40 -61.99 -37.15 83.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.978 -0.555 . . . . 2.36 110.152 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.3 m -68.81 -26.51 65.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.545 -0.752 . . . . 1.04 111.591 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.602 ' HB2' HD23 ' A' ' 33' ' ' LEU . 28.9 mt -64.1 -51.1 65.63 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 120.643 -0.423 . . . . 1.28 110.152 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -58.15 -45.51 87.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.203 -0.453 . . . . 1.76 110.919 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.416 ' HB ' ' SG ' ' B' ' 52' ' ' CYS . 68.0 t -60.4 -45.23 96.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.49 110.531 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.69 84.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.48 111.128 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.608 HG23 HG23 ' A' ' 26' ' ' ILE . 63.6 mt -56.26 -55.73 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.61 110.589 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -65.57 -34.74 78.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.013 -0.54 . . . . 1.84 110.632 -177.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.438 ' SG ' ' HB ' ' B' ' 48' ' ' VAL . 9.4 t -70.63 -48.2 56.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.888 -0.597 . . . . 0.69 110.925 -177.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.4 mt -70.87 -32.22 69.15 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.554 0.216 . . . . 0.76 111.094 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.96 -47.24 81.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.328 -0.619 . . . . 1.65 109.328 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -69.99 -35.24 74.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.373 -0.831 . . . . 1.16 110.816 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' O ' ' HB1' ' B' ' 42' ' ' ALA . . . -62.77 -52.65 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.038 -0.528 . . . . 1.15 112.085 -177.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.625 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 86.2 m-85 -82.67 -5.97 59.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.998 0.427 . . . . 2.05 111.122 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.57 26.13 74.6 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.882 -0.599 . . . . 2.6 112.011 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.3 m -95.19 162.16 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.996 0.427 . . . . 1.35 110.773 -177.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.1 p -139.42 -171.89 3.23 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.67 -0.695 . . . . 2.38 109.969 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -69.3 -20.78 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.058 0.456 . . . . 2.21 110.032 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.97 -37.3 87.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.461 0.648 . . . . 4.01 109.892 175.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.82 -16.65 62.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.448 -0.796 . . . . 3.62 109.785 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.574 ' HA ' ' CD1' ' A' ' 23' ' ' TYR . 30.6 t -89.3 -13.62 37.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.771 -0.649 . . . . 2.91 110.04 175.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' C ' ' H ' ' A' ' 67' ' ' ALA . 21.1 t70 -75.01 -34.85 61.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.091 0.472 . . . . 3.46 109.887 177.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -80.13 28.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 1.87 110.524 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.439 ' HA ' ' OH ' ' A' ' 23' ' ' TYR . . . -50.05 134.54 21.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.26 -0.882 . . . . 1.53 112.749 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.467 HD12 HD21 ' A' ' 72' ' ' LEU . 87.9 mt -71.43 160.47 82.47 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 114.793 -1.094 . . . . 1.55 110.014 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -42.54 -41.78 8.05 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.168 2.579 . . . . 2.74 113.462 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -134.51 160.99 36.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.504 -0.316 . . . . 2.75 110.204 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -68.33 141.51 55.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.36 0.6 . . . . 1.55 110.413 176.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.637 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 66.2 mt -72.95 -42.44 7.41 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.218 -0.901 . . . . 1.79 113.391 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.518 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 71.7 Cg_exo -53.1 -31.76 55.94 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.46 1.44 . . . . 1.07 112.07 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -62.8 -50.23 71.82 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.024 -0.535 . . . . 2.28 109.646 175.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.402 HD12 HD23 ' A' ' 72' ' ' LEU . 55.3 mt -53.27 -44.98 55.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 115.327 -0.851 . . . . 1.38 110.327 173.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.64 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 0.0 OUTLIER -67.26 -35.4 79.45 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.571 -0.741 . . . . 2.36 111.31 -174.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 34.0 mt-10 -63.61 -25.69 68.34 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.515 -0.474 . . . . 2.52 110.451 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.459 ' O ' ' HA3' ' A' ' 82' ' ' GLY . . . -87.65 -27.11 22.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.38 -0.373 . . . . 0.65 111.417 176.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.19 -61.15 1.63 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.925 0.393 . . . . 0.99 111.798 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.522 ' HB3' ' OD1' ' B' ' 17' ' ' ASN . . . -59.42 -63.36 1.33 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.549 -0.75 . . . . 1.56 112.081 -171.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 t -89.25 -1.1 57.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.007 0.432 . . . . 2.33 110.541 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 78' ' ' ALA . . . -76.91 -31.37 53.65 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.75 -0.738 . . . . 2.59 111.676 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.417 -0.801 . . . . 4.41 109.862 178.161 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 71.3 mtm . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.108 0.48 . . . . 3.68 110.558 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -78.08 101.66 7.08 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.734 -0.666 . . . . 2.42 110.494 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.522 ' OD1' ' HB3' ' A' ' 80' ' ' ALA . 7.5 t30 -68.42 -32.55 72.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.702 -0.681 . . . . 2.52 109.66 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -55.14 -54.18 46.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.772 -0.649 . . . . 1.89 111.521 -176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -69.98 -36.69 75.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.62 -0.264 . . . . 1.49 111.639 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -73.35 -30.94 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.142 0.496 . . . . 2.34 110.481 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.493 HD13 ' CD2' ' A' ' 76' ' ' PHE . 34.2 tp -61.82 -45.58 93.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.47 -0.786 . . . . 0.7 110.435 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.629 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -59.32 -63.57 1.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.267 -0.879 . . . . 0.83 112.554 -175.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' B' ' 64' ' ' SER . 4.1 p90 -61.05 -35.36 76.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.015 0.436 . . . . 2.99 110.685 -172.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.61 94.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.718 -0.673 . . . . 1.14 110.784 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 29.2 mt -68.61 -39.56 80.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.128 -0.487 . . . . 0.97 110.094 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.609 HG23 HG23 ' B' ' 50' ' ' ILE . 67.3 mt -56.9 -53.13 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.366 -0.379 . . . . 0.78 111.478 177.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -62.83 -36.27 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 1.58 111.219 -178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.44 ' CB ' ' HG2' ' B' ' 73' ' ' PRO . 64.5 t80 -67.31 -44.46 79.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.18 -0.463 . . . . 1.98 109.911 176.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.451 ' HA ' HE21 ' B' ' 32' ' ' GLN . 8.0 mp -67.06 -28.21 68.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.7 111.141 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -68.12 -45.94 72.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.014 0.435 . . . . 1.41 110.025 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -66.68 -40.99 88.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.518 0.675 . . . . 1.98 109.794 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.451 HE21 ' HA ' ' B' ' 29' ' ' LEU . 8.6 tt0 -60.07 -36.9 78.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.899 -1.046 . . . . 1.93 110.465 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -68.02 -46.84 70.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.468 -0.787 . . . . 1.22 109.612 178.327 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -64.68 -35.36 80.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.493 -0.776 . . . . 3.5 110.798 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -81.24 -18.83 44.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.922 0.392 . . . . 2.69 111.127 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.61 41.8 23.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.055 -0.593 . . . . 0.53 111.929 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.28 -37.74 94.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.364 -0.446 . . . . 0.53 113.48 -174.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' B' ' 42' ' ' ALA . 4.4 mm? -101.16 176.46 5.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.951 0.405 . . . . 0.83 111.722 -177.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -72.16 -171.74 0.79 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.728 -0.669 . . . . 1.42 111.095 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' B' ' 44' ' ' GLU . 45.3 t -63.57 -65.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.955 0.354 . . . . 1.63 111.955 -174.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -67.34 -30.25 70.03 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.491 0.662 . . . . 2.21 109.984 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 56' ' ' ALA . . . -62.26 -43.52 98.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.908 -1.042 . . . . 0.54 110.931 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.47 ' O ' HD21 ' B' ' 33' ' ' LEU . 8.7 tt0 -62.69 -44.57 95.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 1.57 110.32 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 40' ' ' SER . 6.2 mm-40 -61.86 -37.07 83.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.986 -0.552 . . . . 2.36 110.129 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.2 m -68.66 -26.83 65.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.519 -0.764 . . . . 1.04 111.557 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.601 ' HB2' HD23 ' B' ' 33' ' ' LEU . 28.9 mt -64.0 -51.01 66.26 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.652 -0.419 . . . . 1.28 110.163 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -58.26 -45.43 87.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.293 -0.412 . . . . 1.75 110.91 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.438 ' HB ' ' SG ' ' A' ' 52' ' ' CYS . 67.1 t -60.4 -45.29 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.49 110.576 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.75 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.004 -0.544 . . . . 0.48 111.127 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.609 HG23 HG23 ' B' ' 26' ' ' ILE . 62.8 mt -56.26 -55.75 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.62 110.483 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -65.56 -34.67 78.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.127 0.489 . . . . 1.84 110.622 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.416 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 9.4 t -70.7 -48.21 55.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.917 -0.583 . . . . 0.69 110.885 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -70.9 -32.2 69.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.51 0.195 . . . . 0.76 111.104 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.11 -47.01 82.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.231 -0.655 . . . . 1.66 109.231 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 29.3 m -70.11 -35.34 74.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.35 -0.841 . . . . 1.15 110.809 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.61 -52.8 61.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.14 111.985 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.629 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 86.5 m-85 -82.58 -6.0 59.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.839 0.352 . . . . 2.06 111.191 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.8 25.81 75.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.171 -0.538 . . . . 2.6 112.024 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -95.11 162.14 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.984 0.421 . . . . 1.35 110.865 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 22.5 p -139.49 -171.93 3.25 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.698 -0.683 . . . . 2.38 109.937 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.44 -20.82 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.052 0.453 . . . . 2.21 109.926 175.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.8 -37.28 87.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.454 0.645 . . . . 4.0 109.945 174.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.02 -16.95 62.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 3.62 109.801 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.576 ' HA ' ' CD1' ' B' ' 23' ' ' TYR . 29.6 t -88.6 -13.98 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.79 -0.641 . . . . 2.92 110.135 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' B' ' 67' ' ' ALA . 21.3 t70 -74.98 -34.45 62.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.126 0.489 . . . . 3.46 110.012 177.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -79.99 27.11 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.63 -0.714 . . . . 1.87 110.68 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.437 ' HA ' ' OH ' ' B' ' 23' ' ' TYR . . . -49.21 134.48 17.99 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.162 -0.926 . . . . 1.54 112.72 -175.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.455 HD12 HD21 ' B' ' 72' ' ' LEU . 88.8 mt -71.45 160.49 82.42 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 114.785 -1.098 . . . . 1.56 109.928 176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -42.68 -41.61 8.34 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.173 2.582 . . . . 2.75 113.556 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -134.44 161.56 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.106 -0.331 . . . . 2.76 110.106 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.3 p -69.24 144.33 53.7 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.345 0.593 . . . . 1.55 110.064 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.64 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 64.7 mt -75.11 -42.23 4.25 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.238 -0.892 . . . . 1.79 113.164 -171.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.504 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 72.0 Cg_exo -53.21 -31.76 57.06 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 121.455 1.437 . . . . 1.06 112.106 173.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -62.77 -50.19 72.01 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.253 0.549 . . . . 2.27 109.689 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.405 HD12 HD23 ' B' ' 72' ' ' LEU . 56.3 mt -53.25 -44.85 54.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 115.323 -0.853 . . . . 1.37 110.519 172.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.637 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.39 -35.44 79.31 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.532 -0.758 . . . . 2.37 111.292 -174.448 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 33.7 mt-10 -63.7 -25.79 68.36 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.471 -0.492 . . . . 2.51 110.509 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.471 ' O ' ' HA3' ' B' ' 82' ' ' GLY . . . -87.19 -28.12 22.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.343 -0.39 . . . . 0.64 111.418 176.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.89 -61.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.062 0.458 . . . . 0.99 112.131 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.489 ' HB3' ' OD1' ' A' ' 17' ' ' ASN . . . -59.81 -63.03 1.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.465 -0.789 . . . . 1.55 112.133 -170.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 7.2 t -89.54 -0.99 57.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.013 0.435 . . . . 2.33 110.431 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' B' ' 78' ' ' ALA . . . -76.73 -31.44 53.78 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.766 -0.73 . . . . 2.59 111.68 178.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.276 -0.868 . . . . 4.4 109.887 178.355 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 121.142 0.496 . . . . 3.68 110.23 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -119.08 126.02 50.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 2.4 110.851 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -66.31 -21.68 66.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.85 -0.614 . . . . 2.52 110.177 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -58.2 -48.06 81.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.793 -0.64 . . . . 1.9 110.841 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -69.16 -41.35 77.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.299 0.571 . . . . 1.49 110.043 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.747 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 98.5 mtt180 -67.61 -31.32 71.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.317 -0.856 . . . . 2.34 110.83 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -67.92 -40.43 83.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.815 -0.63 . . . . 0.7 110.266 172.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.12 -34.62 72.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.019 -0.537 . . . . 0.83 111.114 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.747 ' CD2' ' HA ' ' A' ' 20' ' ' ARG . 6.4 m-85 -61.26 -46.57 89.82 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 109.396 -0.594 . . . . 2.99 109.396 176.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . . . -53.02 -36.32 60.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.754 -0.657 . . . . 1.14 111.21 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.66 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 44.0 mt -84.04 -51.77 13.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.007 -0.997 . . . . 0.97 110.025 -174.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.459 HG23 HG23 ' A' ' 50' ' ' ILE . 74.6 mt -63.13 -54.14 37.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.101 -0.5 . . . . 0.78 111.066 179.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 23' ' ' TYR . 22.4 mm-40 -62.14 -56.87 14.43 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.039 0.755 . . . . 1.58 113.039 -173.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -76.45 -46.82 25.25 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.879 -0.328 . . . . 1.98 111.856 -170.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.66 ' HB2' ' O ' ' A' ' 25' ' ' ILE . 10.5 mp -57.87 -32.52 67.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.982 -0.287 . . . . 0.7 110.907 176.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -58.31 -58.1 9.98 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.105 0.478 . . . . 1.41 110.897 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.45 -26.32 64.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.881 -0.6 . . . . 1.98 110.704 -178.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' A' ' 29' ' ' LEU . 8.2 tt0 -59.23 -40.2 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.879 -0.6 . . . . 1.92 110.137 173.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.612 HD21 HD12 ' A' ' 46' ' ' LEU . 60.8 mt -65.74 -40.1 91.78 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.851 -0.613 . . . . 1.22 109.992 176.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -67.04 -26.04 66.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.769 -0.65 . . . . 3.49 110.326 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -86.26 -11.54 52.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.09 0.471 . . . . 2.68 110.924 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.57 39.16 50.32 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.868 -0.606 . . . . 0.53 112.336 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.97 -52.44 44.96 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.067 -0.587 . . . . 0.52 112.978 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 3.6 mm? -92.31 176.56 6.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.624 0.25 . . . . 0.83 110.451 -178.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -72.25 158.55 35.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.174 -0.676 . . . . 1.42 109.174 173.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -52.09 -49.55 63.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.694 0.257 . . . . 1.63 111.694 -173.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.69 -42.45 83.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.107 0.479 . . . . 2.2 110.975 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 38' ' ' LEU . . . -73.3 -32.93 64.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.868 -0.605 . . . . 0.54 110.963 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.483 ' HA ' HD22 ' A' ' 33' ' ' LEU . 39.4 mt-30 -61.21 -66.28 0.56 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 1.56 111.451 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -51.08 -31.99 20.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.722 -0.672 . . . . 2.36 111.222 176.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -64.15 -40.24 95.72 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.368 -0.378 . . . . 1.04 110.932 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.612 HD12 HD21 ' A' ' 33' ' ' LEU . 23.0 mt -62.93 -41.51 99.5 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.661 0.267 . . . . 1.28 110.385 176.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.69 -40.88 93.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.079 -0.51 . . . . 1.76 110.847 -177.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.4 t -63.13 -43.64 99.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.194 0.521 . . . . 0.49 110.255 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' B' ' 52' ' ' CYS . . . -61.58 -43.47 98.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.592 -0.731 . . . . 0.48 110.981 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.459 HG23 HG23 ' A' ' 26' ' ' ILE . 70.7 mt -57.24 -46.6 84.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.645 . . . . 0.61 111.425 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -60.84 -39.57 89.56 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.278 0.561 . . . . 1.84 110.657 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' B' ' 49' ' ' ALA . 67.6 m -70.5 -40.64 73.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.663 -0.699 . . . . 0.69 110.741 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 86.8 mt -64.44 -40.45 95.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.455 -0.339 . . . . 0.76 110.557 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 59' ' ' VAL . 35.6 tt0 -58.24 -50.1 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 1.65 110.382 176.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 m -65.72 -30.66 71.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.635 -0.711 . . . . 1.16 111.065 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.71 -60.18 2.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.54 . . . . 1.15 111.876 -177.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -69.25 -17.84 63.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 2.05 111.232 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.73 15.31 81.44 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.944 -0.646 . . . . 2.6 111.912 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.604 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 30.0 m -97.97 142.42 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.026 0.441 . . . . 1.35 110.76 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.0 p -122.09 -170.55 2.08 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.697 -0.683 . . . . 2.38 110.421 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.89 -29.82 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.793 0.33 . . . . 2.21 110.579 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.51 -45.02 73.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.344 0.593 . . . . 4.01 110.496 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.677 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.8 m-20 -65.27 -42.43 93.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.788 -0.642 . . . . 3.62 109.341 176.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.6 m -69.3 -11.27 60.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.617 -0.719 . . . . 2.91 110.804 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -79.26 -36.33 40.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.266 -0.425 . . . . 3.46 110.656 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 3.8 pp -69.04 -47.11 66.2 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.964 -0.754 . . . . 1.87 108.964 175.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . . . 45.71 -164.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.947 1.091 . . . . 1.53 113.947 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.496 HD13 ' O ' ' B' ' 80' ' ' ALA . 94.0 mt -123.15 127.5 25.63 Favored Pre-proline 0 C--N 1.315 -0.912 0 CA-C-N 114.272 -1.331 . . . . 1.55 109.125 172.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -52.47 -42.22 62.67 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 124.279 3.319 . . . . 2.74 113.809 -173.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.633 ' CG ' HD11 ' A' ' 75' ' ' ILE . 5.1 pm0 -87.16 139.59 30.41 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.956 -0.757 . . . . 2.75 108.956 176.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.2 p -67.69 135.86 53.42 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.495 0.664 . . . . 1.55 110.823 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 68' ' ' LEU . 2.5 mm? -80.19 -48.02 1.32 Allowed Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.204 -0.907 . . . . 1.79 112.87 -170.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.02 -32.1 46.97 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.424 1.416 . . . . 1.07 111.925 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.98 -44.59 65.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.928 -0.578 . . . . 2.28 110.557 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.633 HD11 ' CG ' ' A' ' 70' ' ' GLN . 44.6 mt -61.18 -42.2 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 CA-C-O 121.184 0.516 . . . . 1.38 109.7 173.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.542 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 14.5 m-30 -67.95 -17.28 64.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.542 -0.754 . . . . 2.36 110.154 -177.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -74.76 -41.38 60.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 2.52 109.647 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.36 -61.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.829 -0.623 . . . . 0.65 112.095 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.72 -42.04 35.71 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.823 0.675 . . . . 0.99 112.823 -169.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -61.62 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.753 0.279 . . . . 1.56 111.753 -173.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.1 t -89.04 15.74 8.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.211 0.529 . . . . 2.33 110.627 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.87 -163.06 9.62 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.711 -0.677 . . . . 2.59 111.489 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.576 -0.726 . . . . 4.41 109.958 -179.744 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.939 0.399 . . . . 3.68 110.306 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -118.97 126.04 50.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 2.42 110.944 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -66.34 -21.58 66.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.832 -0.622 . . . . 2.52 110.167 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -58.36 -48.07 81.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.789 -0.641 . . . . 1.89 110.792 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -69.14 -41.34 77.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.332 0.587 . . . . 1.49 110.072 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.763 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . 98.7 mtt180 -67.64 -31.33 71.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.311 -0.859 . . . . 2.34 110.771 -175.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 14.9 tp -67.73 -40.62 84.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.625 . . . . 0.7 110.221 172.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.58 72.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.016 -0.538 . . . . 0.83 111.051 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.763 ' CD2' ' HA ' ' B' ' 20' ' ' ARG . 6.5 m-85 -61.23 -46.67 89.43 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 109.369 -0.604 . . . . 2.99 109.369 176.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.04 -36.21 60.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.673 -0.694 . . . . 1.14 111.264 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.679 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 43.9 mt -84.1 -51.76 13.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.979 -1.01 . . . . 0.97 110.017 -174.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.459 HG23 HG23 ' B' ' 50' ' ' ILE . 74.6 mt -63.14 -54.16 36.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.106 -0.497 . . . . 0.78 111.059 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' B' ' 23' ' ' TYR . 22.2 mm-40 -62.1 -56.78 15.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.05 0.759 . . . . 1.58 113.05 -173.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -76.57 -46.9 24.35 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.823 -0.351 . . . . 1.98 111.711 -170.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.679 ' HB2' ' O ' ' B' ' 25' ' ' ILE . 10.5 mp -57.7 -32.65 67.59 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.044 -0.262 . . . . 0.7 110.868 176.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -58.21 -58.17 9.65 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.145 0.497 . . . . 1.41 110.877 174.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.49 -26.25 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.887 -0.597 . . . . 1.98 110.743 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' B' ' 29' ' ' LEU . 8.3 tt0 -59.27 -40.25 85.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.848 -0.615 . . . . 1.93 110.129 173.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.607 HD21 HD12 ' B' ' 46' ' ' LEU . 61.3 mt -65.72 -40.21 91.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 1.22 110.047 176.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -66.87 -26.13 66.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.614 -0.721 . . . . 3.5 110.324 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -86.23 -11.58 52.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 2.69 110.944 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.63 39.39 49.18 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.944 -0.571 . . . . 0.53 112.206 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.28 -52.24 45.69 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 121.152 -0.547 . . . . 0.53 113.049 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' B' ' 42' ' ' ALA . 3.6 mm? -92.34 176.75 6.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.818 -0.225 . . . . 0.83 110.498 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.0 t -72.51 158.53 35.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.141 -0.689 . . . . 1.42 109.141 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -52.16 -49.52 63.6 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.681 0.252 . . . . 1.63 111.681 -173.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.55 -42.51 83.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.156 0.503 . . . . 2.21 111.086 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' HB3' ' B' ' 38' ' ' LEU . . . -73.25 -33.16 65.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.803 -0.635 . . . . 0.54 110.924 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.483 ' HA ' HD22 ' B' ' 33' ' ' LEU . 39.5 mt-30 -61.15 -66.33 0.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.97 -0.559 . . . . 1.57 111.396 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -51.09 -31.79 20.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.697 -0.683 . . . . 2.36 111.321 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -64.22 -40.49 96.15 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.412 -0.358 . . . . 1.04 110.795 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.607 HD12 HD21 ' B' ' 33' ' ' LEU . 22.9 mt -62.71 -41.54 99.2 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.613 0.245 . . . . 1.28 110.458 176.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.68 -40.73 93.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.057 -0.52 . . . . 1.75 110.762 -177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.33 -43.56 98.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.122 0.487 . . . . 0.49 110.166 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.418 ' HB2' ' HB2' ' A' ' 52' ' ' CYS . . . -61.66 -43.43 98.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.541 -0.754 . . . . 0.48 110.933 178.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.459 HG23 HG23 ' B' ' 26' ' ' ILE . 70.3 mt -57.43 -46.44 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.879 -0.601 . . . . 0.62 111.43 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -61.01 -39.39 89.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.18 0.514 . . . . 1.84 110.59 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 49' ' ' ALA . 67.9 m -70.67 -40.6 72.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.735 -0.666 . . . . 0.69 110.758 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 86.8 mt -64.38 -40.35 95.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.528 -0.305 . . . . 0.76 110.598 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' B' ' 59' ' ' VAL . 35.0 tt0 -58.39 -50.11 74.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 1.66 110.325 176.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -65.4 -30.89 71.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.654 -0.703 . . . . 1.15 111.075 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.78 -59.91 2.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.961 -0.563 . . . . 1.14 111.868 -176.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -69.67 -17.63 63.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 2.06 111.187 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.82 15.34 81.36 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.865 -0.683 . . . . 2.6 111.879 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.614 ' O ' ' HG3' ' B' ' 54' ' ' GLU . 30.1 m -98.09 142.51 14.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.103 0.478 . . . . 1.35 110.747 -178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.2 p -122.39 -171.35 2.25 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.636 -0.711 . . . . 2.38 110.37 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.14 -29.91 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.742 0.306 . . . . 2.21 110.622 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -68.47 -45.11 73.3 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.329 0.585 . . . . 4.0 110.518 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.68 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 6.9 m-20 -65.14 -42.52 93.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.755 -0.657 . . . . 3.62 109.487 176.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 29.5 m -68.75 -12.33 61.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.535 -0.757 . . . . 2.92 110.861 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -78.56 -36.22 44.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.46 . . . . 3.46 110.571 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 3.8 pp -70.27 -44.44 68.43 Favored 'General case' 0 C--O 1.231 0.085 0 C-N-CA 119.827 -0.749 . . . . 1.87 109.201 175.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.498 ' HA ' ' CD2' ' B' ' 23' ' ' TYR . . . 43.91 -164.06 0.01 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 114.057 1.132 . . . . 1.54 114.057 171.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 80' ' ' ALA . 94.0 mt -123.11 127.53 25.63 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 114.064 -1.425 . . . . 1.56 109.085 172.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -52.63 -42.0 65.13 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 124.187 3.258 . . . . 2.75 113.99 -173.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . 0.636 ' CG ' HD11 ' B' ' 75' ' ' ILE . 5.1 pm0 -87.31 140.15 29.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.886 -0.783 . . . . 2.76 108.886 176.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 20.5 p -69.3 141.11 54.4 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.918 -0.713 . . . . 1.55 109.882 -174.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' B' ' 68' ' ' LEU . 2.5 mm? -83.22 -48.42 0.77 Allowed Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.106 -0.952 . . . . 1.79 112.753 -170.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' B' ' 72' ' ' LEU . 51.6 Cg_exo -51.92 -32.3 46.93 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.457 1.438 . . . . 1.06 111.715 174.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -70.92 -44.51 66.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.875 -0.602 . . . . 2.27 110.619 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.636 HD11 ' CG ' ' B' ' 70' ' ' GLN . 44.8 mt -61.16 -42.22 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 CA-C-O 121.272 0.558 . . . . 1.37 109.695 173.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.556 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 14.6 m-30 -67.83 -17.67 64.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.577 -0.738 . . . . 2.37 110.108 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -74.35 -42.43 59.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.635 -0.711 . . . . 2.51 109.49 175.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.03 -61.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.875 -0.602 . . . . 0.64 112.349 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.89 -41.95 34.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.842 0.682 . . . . 0.99 112.842 -169.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -61.69 -46.18 90.8 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.719 0.266 . . . . 1.55 111.719 -173.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 t -89.03 16.01 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.24 0.543 . . . . 2.33 110.581 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -137.04 -163.02 9.58 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.475 -0.65 . . . . 2.59 111.475 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.646 -0.692 . . . . 4.4 110.045 -179.674 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.426 ' SD ' ' HA ' ' B' ' 81' ' ' THR . 51.6 ttm . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.723 0.297 . . . . 3.68 110.412 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.42 85.54 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.053 -0.521 . . . . 2.4 110.031 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 2.8 p-10 -87.28 -15.36 38.28 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.07 0.396 . . . . 2.52 112.07 -175.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 12.3 mptt -77.88 -32.46 51.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.929 0.395 . . . . 1.9 110.644 -175.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.584 ' HE3' ' O ' ' A' ' 58' ' ' GLY . 20.2 ptmt -70.41 -45.81 65.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.551 -0.295 . . . . 1.49 110.716 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' O ' ' HD2' ' A' ' 23' ' ' TYR . 27.1 mtm180 -67.3 -23.17 65.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.589 0.709 . . . . 2.34 109.442 178.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 5.5 tp -62.11 -60.98 2.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.941 -1.027 . . . . 0.7 110.344 171.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.516 ' HB3' HG11 ' A' ' 59' ' ' VAL . . . -69.54 -35.09 75.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.033 0.383 . . . . 0.83 112.033 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' HA ' ' HG1' ' A' ' 60' ' ' THR . 0.0 OUTLIER -54.82 -44.61 74.03 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.228 0.537 . . . . 2.99 110.261 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . . . -72.36 -36.03 68.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.75 -0.659 . . . . 1.14 110.891 -176.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.55 -42.77 93.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.719 -0.673 . . . . 0.97 110.427 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.609 HD11 ' CD1' ' A' ' 53' ' ' LEU . 74.3 mt -59.22 -40.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.049 -0.523 . . . . 0.78 111.009 177.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -60.39 -43.58 96.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.373 -0.376 . . . . 1.58 111.029 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -72.49 -46.14 56.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 1.98 111.132 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.702 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 8.8 mp -60.37 -45.59 92.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.555 -0.293 . . . . 0.7 110.687 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -56.46 -38.28 71.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 1.41 110.34 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.68 -48.42 59.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.721 -0.672 . . . . 1.98 110.745 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 2.5 pt20 -65.45 -33.45 75.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.92 110.5 -178.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 29' ' ' LEU . 45.4 mt -62.57 -47.34 84.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.718 0.294 . . . . 1.22 110.401 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.3 mmt-85 -68.79 -27.32 65.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.377 -0.374 . . . . 3.49 110.89 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -87.33 3.68 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.398 -0.365 . . . . 2.68 111.426 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.498 ' HA2' ' NE2' ' A' ' 43' ' ' GLN . . . 68.27 34.74 81.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.172 -0.537 . . . . 0.53 113.114 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.49 -53.43 35.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.046 -0.597 . . . . 0.52 111.975 178.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.74 151.94 20.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.579 -0.526 . . . . 0.83 109.579 176.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 t -65.51 157.38 29.78 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 123.348 0.405 . . . . 1.42 110.03 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 p -43.62 -49.13 7.72 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.92 1.082 . . . . 1.63 113.92 -170.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.67 -52.91 62.38 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.951 0.405 . . . . 2.2 110.925 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.86 79.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.779 -0.646 . . . . 0.54 110.793 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.498 ' NE2' ' HA2' ' A' ' 36' ' ' GLY . 14.9 tt0 -59.29 -58.45 8.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.177 -0.92 . . . . 1.56 110.562 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.583 ' O ' HG23 ' A' ' 48' ' ' VAL . 41.0 mt-10 -65.3 -33.91 77.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.979 -0.555 . . . . 2.36 110.659 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.9 t -64.68 -38.97 92.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.876 -0.602 . . . . 1.04 111.138 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.598 HD12 HD21 ' A' ' 33' ' ' LEU . 17.9 mt -61.6 -41.1 96.97 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.905 -0.318 . . . . 1.28 110.284 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 71.2 tt0 -67.41 -38.29 84.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 1.76 110.523 -178.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 44' ' ' GLU . 58.0 t -56.11 -51.31 63.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.337 0.589 . . . . 0.49 109.424 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.603 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -57.51 -49.01 77.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.952 -1.022 . . . . 0.48 110.975 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 29' ' ' LEU . 44.7 mt -53.64 -49.79 54.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.338 -0.847 . . . . 0.61 111.495 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 30.1 mm-40 -58.55 -43.83 89.42 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.226 0.536 . . . . 1.84 110.651 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.6 m -65.34 -52.93 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.479 -0.782 . . . . 0.69 111.02 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.609 ' CD1' HD11 ' A' ' 26' ' ' ILE . 2.9 pp -78.96 -20.44 49.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.757 0.651 . . . . 0.76 112.757 -173.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.576 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . 27.1 tt0 -67.83 -38.06 82.74 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.388 -0.597 . . . . 1.65 109.388 177.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -73.98 -26.36 60.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.285 -0.871 . . . . 1.16 110.904 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' B' ' 45' ' ' SER . . . -88.05 -44.48 10.93 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.043 0.757 . . . . 1.15 113.043 -173.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -77.61 -17.52 57.71 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.354 -0.839 . . . . 2.05 112.585 -164.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.584 ' O ' ' HE3' ' A' ' 19' ' ' LYS . . . 77.87 54.44 4.52 Favored Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 109.794 -1.322 . . . . 2.6 109.794 -170.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.576 ' CG2' ' HA ' ' A' ' 54' ' ' GLU . 29.3 m -137.51 -144.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.348 -0.426 . . . . 1.35 112.141 -166.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.594 ' HG1' ' HA ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -41.54 -167.24 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 118.465 2.765 . . . . 2.38 118.465 -159.661 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.534 ' HA ' ' HB3' ' A' ' 64' ' ' SER . 7.9 p 9.61 -38.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 116.733 2.123 . . . . 2.21 116.733 -134.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.0 mm-40 -72.79 -59.33 2.76 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 122.674 1.226 . . . . 4.01 109.102 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.546 ' HB2' ' C ' ' A' ' 59' ' ' VAL . 6.3 m-20 -77.98 6.46 7.75 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.229 -0.896 . . . . 3.62 110.13 177.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.534 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 9.5 t -86.84 -22.87 25.54 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.622 -0.881 . . . . 2.91 108.622 167.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 23.0 t70 -62.87 -36.77 84.38 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.375 -0.602 . . . . 3.46 109.375 171.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.53 HD21 ' OD2' ' A' ' 63' ' ' ASP . 3.9 pp -85.46 30.72 0.61 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 120.346 -0.542 . . . . 1.87 111.627 174.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 64' ' ' SER . . . -48.23 153.43 0.71 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.315 1.228 . . . . 1.53 114.315 -176.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.96 163.51 18.62 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 114.629 -1.169 . . . . 1.55 110.128 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -53.46 -51.77 10.15 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.938 2.425 . . . . 2.74 113.771 -176.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -120.14 168.45 11.2 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.187 -0.301 . . . . 2.75 110.187 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.7 p -77.93 139.97 39.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.295 0.569 . . . . 1.55 110.228 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.673 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 4.1 mm? -68.83 -44.75 31.45 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.394 -0.821 . . . . 1.79 111.43 178.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.614 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 68.0 Cg_exo -47.11 -34.61 17.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.167 1.911 . . . . 1.07 113.431 173.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.42 -48.05 74.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.086 0.47 . . . . 2.28 109.944 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.506 HD12 HD13 ' A' ' 72' ' ' LEU . 81.2 mt -58.27 -38.25 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.464 0.649 . . . . 1.38 109.768 174.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.673 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 14.6 m-30 -69.33 -27.53 65.45 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.41 -0.813 . . . . 2.36 110.58 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 50.8 mt-10 -65.6 -26.56 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.936 0.398 . . . . 2.52 110.04 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.85 -48.39 8.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.961 -0.563 . . . . 0.65 111.226 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.23 39.66 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.659 0.614 . . . . 0.99 112.659 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.0 -11.25 60.06 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.928 0.344 . . . . 1.56 111.928 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.441 ' HA ' ' SD ' ' B' ' 15' ' ' MET . 18.5 p -90.8 -12.72 35.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.195 0.521 . . . . 2.33 110.363 174.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.71 154.74 21.04 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.854 -0.612 . . . . 2.59 111.694 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.229 -0.891 . . . . 4.41 110.202 -178.321 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.441 ' SD ' ' HA ' ' A' ' 81' ' ' THR . 51.7 ttm . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.708 0.29 . . . . 3.68 110.446 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -78.53 84.79 4.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.152 0.501 . . . . 2.42 110.147 177.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 2.9 p-10 -86.01 -15.95 39.8 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.262 0.467 . . . . 2.52 112.262 -175.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 12.3 mptt -77.69 -32.59 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 1.89 110.684 -175.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.615 ' HE3' ' O ' ' B' ' 58' ' ' GLY . 20.3 ptmt -70.18 -45.82 65.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.494 -0.321 . . . . 1.49 110.8 177.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.412 ' O ' ' HD2' ' B' ' 23' ' ' TYR . 27.1 mtm180 -67.4 -23.17 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.516 0.675 . . . . 2.34 109.415 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.536 ' HB3' ' O ' ' B' ' 18' ' ' LYS . 5.5 tp -62.05 -60.96 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.912 -1.04 . . . . 0.7 110.487 171.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.539 ' HB3' HG11 ' B' ' 59' ' ' VAL . . . -69.62 -34.95 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.403 . . . . 0.83 112.008 -175.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.674 ' HA ' ' HG1' ' B' ' 60' ' ' THR . 0.0 OUTLIER -54.88 -44.61 74.23 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.169 0.509 . . . . 2.99 110.272 179.391 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' B' ' 72' ' ' LEU . . . -72.29 -36.21 68.9 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.749 -0.66 . . . . 1.14 110.914 -176.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.58 -42.75 93.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.695 -0.684 . . . . 0.97 110.363 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.612 HD11 ' CD1' ' B' ' 53' ' ' LEU . 74.8 mt -59.15 -40.84 81.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.116 -0.493 . . . . 0.78 110.983 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -60.43 -43.38 96.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 1.58 111.098 177.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -72.53 -46.14 55.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.253 -0.43 . . . . 1.98 111.158 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.696 ' O ' ' HG ' ' B' ' 33' ' ' LEU . 8.8 mp -60.42 -45.55 93.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.578 -0.283 . . . . 0.7 110.636 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -56.51 -38.27 71.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.984 0.421 . . . . 1.41 110.293 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.77 -48.4 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 1.98 110.713 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' B' ' 29' ' ' LEU . 2.6 pt20 -65.57 -33.23 75.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 1.93 110.484 -178.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' B' ' 29' ' ' LEU . 44.8 mt -62.82 -47.11 84.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.514 -0.312 . . . . 1.22 110.369 178.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -68.76 -27.41 65.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 3.5 110.864 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -87.38 3.52 46.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 2.69 111.373 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . 0.493 ' HA2' ' NE2' ' B' ' 43' ' ' GLN . . . 68.54 34.66 79.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.232 -0.509 . . . . 0.53 113.065 176.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.6 -53.42 35.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.07 -0.586 . . . . 0.53 111.941 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.82 151.84 20.4 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.497 -0.557 . . . . 0.83 109.497 176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 13.7 t -65.51 157.37 29.79 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 123.414 0.446 . . . . 1.42 109.892 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 6.2 p -43.5 -49.23 7.38 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.925 1.083 . . . . 1.63 113.925 -170.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -61.63 -53.02 61.82 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.026 0.441 . . . . 2.21 110.929 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.75 78.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.715 -0.675 . . . . 0.54 110.775 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.493 ' NE2' ' HA2' ' B' ' 36' ' ' GLY . 15.0 tt0 -59.54 -58.12 9.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.156 -0.929 . . . . 1.57 110.64 -177.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 48' ' ' VAL . 41.0 mt-10 -65.51 -34.03 77.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.992 -0.549 . . . . 2.36 110.586 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 56' ' ' ALA . 11.1 t -64.62 -38.81 92.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.891 -0.595 . . . . 1.04 111.164 -177.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.613 HD12 HD21 ' B' ' 33' ' ' LEU . 17.9 mt -61.75 -41.07 97.19 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.874 -0.33 . . . . 1.28 110.261 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 70.8 tt0 -67.38 -38.34 84.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.259 -0.428 . . . . 1.75 110.564 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 44' ' ' GLU . 58.7 t -55.99 -51.34 62.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.415 -0.587 . . . . 0.49 109.415 173.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.615 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -57.51 -49.2 77.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.99 -1.005 . . . . 0.48 110.955 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.45 HD11 ' HB3' ' B' ' 29' ' ' LEU . 45.2 mt -53.39 -49.91 51.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.333 -0.849 . . . . 0.62 111.514 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 30.5 mm-40 -58.5 -43.89 89.22 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.15 0.5 . . . . 1.84 110.647 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 58.5 m -65.19 -52.99 51.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.518 -0.765 . . . . 0.69 111.117 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 2.9 pp -78.88 -20.55 49.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 112.732 0.641 . . . . 0.76 112.732 -173.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.595 ' HA ' ' CG2' ' B' ' 59' ' ' VAL . 27.3 tt0 -67.85 -37.85 82.38 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.399 -0.593 . . . . 1.66 109.399 177.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.1 m -74.34 -26.03 59.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.323 -0.853 . . . . 1.15 110.894 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' B' ' 53' ' ' LEU . . . -88.16 -44.64 10.74 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.935 0.717 . . . . 1.14 112.935 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' B' ' 53' ' ' LEU . 0.2 OUTLIER -77.63 -18.1 57.1 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.344 -0.844 . . . . 2.06 112.732 -164.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . 0.615 ' O ' ' HE3' ' B' ' 19' ' ' LYS . . . 77.74 56.04 3.98 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 110.266 -1.133 . . . . 2.6 110.266 -171.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.595 ' CG2' ' HA ' ' B' ' 54' ' ' GLU . 35.6 m -139.51 -150.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 C-N-CA 124.855 1.262 . . . . 1.35 110.613 -161.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . 0.674 ' HG1' ' HA ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -50.59 -160.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 128.641 2.777 . . . . 2.38 114.775 -153.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.677 ' HA ' ' HB3' ' B' ' 64' ' ' SER . 14.5 p -18.34 -17.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 118.165 2.654 . . . . 2.21 118.165 -114.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' B' ' 65' ' ' ASP . 29.0 mm-40 -75.77 -58.57 3.2 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 120.577 1.535 . . . . 4.0 109.377 167.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.534 ' OD2' HD21 ' B' ' 66' ' ' LEU . 6.4 m-20 -77.22 4.47 10.44 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.289 -0.868 . . . . 3.62 110.139 177.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.677 ' HB3' ' HA ' ' B' ' 61' ' ' VAL . 9.2 t -85.53 -23.29 27.77 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.748 -0.834 . . . . 2.92 108.748 168.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' B' ' 62' ' ' GLU . 22.9 t70 -62.23 -36.89 83.36 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.574 -0.528 . . . . 3.46 109.574 170.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.534 HD21 ' OD2' ' B' ' 63' ' ' ASP . 3.9 pp -84.46 28.13 0.67 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 120.644 -0.422 . . . . 1.87 112.052 174.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' B' ' 64' ' ' SER . . . -46.23 153.05 0.36 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.581 1.326 . . . . 1.54 114.581 -175.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 82.1 mt -98.97 163.4 18.82 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 114.554 -1.203 . . . . 1.56 110.194 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -54.02 -50.28 14.19 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.746 2.298 . . . . 2.75 113.997 -175.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -121.14 168.06 11.98 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 110.093 -0.336 . . . . 2.76 110.093 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 36.6 p -77.62 143.53 38.17 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.323 0.582 . . . . 1.55 109.853 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.67 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 4.1 mm? -71.72 -44.52 12.15 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.377 -0.829 . . . . 1.79 111.15 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.599 ' O ' ' HG3' ' B' ' 77' ' ' GLU . 67.4 Cg_exo -46.89 -34.87 17.06 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.298 1.999 . . . . 1.06 113.333 173.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.41 -47.85 74.86 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.134 0.492 . . . . 2.27 110.082 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.52 HD12 HD13 ' B' ' 72' ' ' LEU . 81.2 mt -58.42 -38.27 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.505 0.669 . . . . 1.37 109.694 174.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.67 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 14.5 m-30 -69.35 -27.38 65.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.372 -0.831 . . . . 2.37 110.602 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.599 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 50.5 mt-10 -65.74 -26.5 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 2.51 110.011 176.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.72 -48.74 8.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.91 -0.586 . . . . 0.64 111.215 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.39 -46.49 39.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.633 0.605 . . . . 0.99 112.633 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.23 -12.33 60.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.978 0.362 . . . . 1.55 111.978 -172.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.426 ' HA ' ' SD ' ' A' ' 15' ' ' MET . 19.2 p -90.07 -12.57 38.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.12 0.486 . . . . 2.33 110.491 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.68 155.08 21.14 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.869 -0.605 . . . . 2.59 111.644 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 tttm . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.389 -0.815 . . . . 4.4 110.069 -178.506 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.8 ptp . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.704 0.288 . . . . 3.68 110.309 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -87.04 133.94 33.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.987 -0.551 . . . . 2.4 110.489 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 21' ' ' LEU . 64.2 t30 -82.14 -25.44 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.989 -0.551 . . . . 2.52 111.068 -177.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HA ' HD23 ' A' ' 21' ' ' LEU . 45.7 mmtm -67.93 -47.35 68.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.433 -0.348 . . . . 1.9 111.398 -173.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -42.1 87.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.334 -0.394 . . . . 1.49 110.933 177.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.471 ' HA ' ' OD1' ' A' ' 63' ' ' ASP . 65.7 mtp180 -73.58 -42.56 61.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.073 0.463 . . . . 2.34 111.118 -176.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.615 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -56.89 -49.72 74.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.61 0.719 . . . . 0.7 110.0 176.337 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.615 ' N ' ' HG ' ' A' ' 21' ' ' LEU . . . -77.91 -14.06 59.68 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.344 -0.843 . . . . 0.83 110.867 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.494 ' O ' ' HB ' ' A' ' 26' ' ' ILE . 9.0 t80 -61.0 -43.87 98.25 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.329 0.585 . . . . 2.99 109.8 170.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.9 67.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.189 0.519 . . . . 1.14 109.932 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' A' ' 22' ' ' ALA . 49.4 mt -63.4 -34.35 66.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.483 -0.781 . . . . 0.97 110.117 172.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.776 HD11 ' C ' ' A' ' 58' ' ' GLY . 77.5 mt -55.71 -53.8 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.402 -0.363 . . . . 0.78 110.72 175.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -53.17 -46.57 68.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.66 -0.7 . . . . 1.58 111.654 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.426 ' CE2' ' HE2' ' B' ' 18' ' ' LYS . 54.7 t80 -73.87 -50.2 21.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.417 -0.356 . . . . 1.98 111.168 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 9.0 mp -65.3 -29.93 70.74 Favored 'General case' 0 C--O 1.222 -0.345 0 N-CA-C 111.719 0.266 . . . . 0.7 111.719 -176.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.83 -45.79 77.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.409 . . . . 1.41 110.107 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.31 -44.59 75.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.419 0.628 . . . . 1.98 110.176 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 29' ' ' LEU . 11.7 tt0 -57.01 -46.48 82.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.782 -1.099 . . . . 1.92 111.473 177.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -64.25 -42.16 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 1.22 110.244 -177.475 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.02 -28.33 68.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 3.49 111.007 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -86.85 -11.36 51.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.169 -0.468 . . . . 2.68 110.769 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.63 41.74 34.53 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.888 -0.673 . . . . 0.53 111.947 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.94 -44.26 97.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.185 -0.531 . . . . 0.52 113.187 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.535 ' HG ' ' HB1' ' B' ' 56' ' ' ALA . 4.2 mm? -93.55 -174.42 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.004 0.43 . . . . 0.83 111.785 -178.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 m -69.15 167.2 16.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.586 -0.733 . . . . 1.42 111.151 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 p -59.28 -55.79 30.33 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.599 0.592 . . . . 1.63 112.599 -172.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.35 -43.29 95.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.935 0.398 . . . . 2.2 110.612 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.619 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -59.49 -39.6 84.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.691 -0.686 . . . . 0.54 110.841 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.467 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.7 tt0 -55.71 -56.63 18.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 1.56 111.17 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.97 -33.15 73.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.425 0.631 . . . . 2.36 110.206 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.469 ' HB3' ' SG ' ' B' ' 52' ' ' CYS . 44.1 m -72.55 -40.97 66.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.29 -0.868 . . . . 1.04 111.602 -177.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 23.4 mt -58.88 -33.4 70.46 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 121.03 -0.268 . . . . 1.28 110.352 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.35 -51.8 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.849 -0.426 . . . . 1.76 109.849 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.2 t -56.63 -42.34 76.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.996 -0.547 . . . . 0.49 110.138 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.716 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -58.06 -42.9 86.46 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.475 -0.784 . . . . 0.48 110.439 176.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 46' ' ' LEU . 73.6 mt -61.46 -34.31 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.61 111.424 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 1.8 mp0 -63.54 -46.02 87.92 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.872 0.844 . . . . 1.84 109.876 174.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' B' ' 45' ' ' SER . 31.1 m -60.34 -42.75 96.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.903 -1.044 . . . . 0.69 109.988 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 57.5 mt -64.64 -39.11 93.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.064 -0.971 . . . . 0.76 110.049 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HB3' ' O ' ' A' ' 51' ' ' GLN . 43.5 tt0 -50.33 -27.98 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.151 0.58 . . . . 1.65 111.634 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 m -83.36 -51.08 7.71 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.325 -0.55 . . . . 1.16 112.126 172.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.52 ' HB1' ' HG ' ' B' ' 38' ' ' LEU . . . -104.05 -43.71 5.2 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.957 1.836 . . . . 1.15 115.957 -169.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.492 ' O ' ' HB3' ' A' ' 53' ' ' LEU . 19.4 t80 -153.02 66.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.923 0.392 . . . . 2.05 111.569 -150.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.776 ' C ' HD11 ' A' ' 26' ' ' ILE . . . 112.92 47.92 0.64 Allowed Glycine 0 C--N 1.292 -1.87 0 N-CA-C 105.95 -2.86 . . . . 2.6 105.95 -158.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.493 ' N ' HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -74.16 -167.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-N 108.495 -3.853 . . . . 1.35 114.709 -168.25 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.9 p -71.86 179.03 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.678 -0.692 . . . . 2.38 111.462 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 64' ' ' SER . 13.5 p -75.47 -5.81 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.44 0.638 . . . . 2.21 110.846 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.47 -37.3 85.41 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.622 0.725 . . . . 4.01 109.262 173.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.471 ' OD1' ' HA ' ' A' ' 20' ' ' ARG . 8.2 t70 -66.2 -27.5 68.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.092 -0.958 . . . . 3.62 109.758 177.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 15.0 t -64.6 -27.87 69.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 2.91 109.966 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -67.04 -42.15 85.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.418 . . . . 3.46 110.135 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.02 33.48 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.403 -0.362 . . . . 1.87 110.903 177.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.28 159.23 3.65 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.138 0.792 . . . . 1.53 113.138 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.8 mt -81.3 149.16 65.03 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.268 -0.878 . . . . 1.55 110.666 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.77 -23.64 76.95 Favored 'Trans proline' 0 N--CA 1.476 0.456 0 C-N-CA 124.175 3.25 . . . . 2.74 114.044 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.465 ' NE2' HD11 ' A' ' 75' ' ' ILE . 3.2 pt20 -128.93 156.05 44.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.993 -0.373 . . . . 2.75 109.993 -173.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 p -79.21 134.69 36.67 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.773 -0.825 . . . . 1.55 108.773 170.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.631 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 4.4 mm? -80.61 -44.16 1.31 Allowed Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 115.796 -0.638 . . . . 1.79 112.549 -173.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.568 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 75.6 Cg_exo -47.87 -35.0 23.45 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.897 1.732 . . . . 1.07 113.292 173.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.28 -41.82 80.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 2.28 110.203 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.465 HD11 ' NE2' ' A' ' 70' ' ' GLN . 27.3 mm -61.52 -40.04 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.714 -0.675 . . . . 1.38 110.531 175.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.631 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 13.0 m-30 -61.72 -33.64 74.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.612 -0.722 . . . . 2.36 110.477 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -71.36 -31.44 67.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.152 -0.477 . . . . 2.52 111.157 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.85 -64.04 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.202 0.445 . . . . 0.65 112.202 -175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.35 93.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.876 0.369 . . . . 0.99 111.933 -171.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -72.93 -13.52 61.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 1.56 112.15 -173.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.1 t -107.49 -4.7 18.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.829 -0.348 . . . . 2.33 110.789 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.78 120.45 0.81 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.878 -0.677 . . . . 2.59 112.041 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.671 -0.681 . . . . 4.41 110.473 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 20.9 ptp . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.933 0.397 . . . . 3.68 110.424 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -86.71 133.92 33.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 2.42 110.57 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' B' ' 21' ' ' LEU . 64.4 t30 -82.11 -25.57 34.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.013 -0.54 . . . . 2.52 111.104 -177.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.443 ' HA ' HD23 ' B' ' 21' ' ' LEU . 45.6 mmtm -67.85 -47.45 68.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.519 -0.309 . . . . 1.89 111.303 -172.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -42.23 87.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.32 -0.4 . . . . 1.49 110.937 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 65.4 mtp180 -73.33 -42.86 61.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.17 0.51 . . . . 2.34 111.201 -176.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.637 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 0.1 OUTLIER -56.67 -49.79 74.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.722 0.772 . . . . 0.7 110.068 176.403 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.637 ' N ' ' HG ' ' B' ' 21' ' ' LEU . . . -77.71 -14.99 59.45 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 115.223 -0.899 . . . . 0.83 110.807 -175.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.496 ' O ' ' HB ' ' B' ' 26' ' ' ILE . 9.1 t80 -60.18 -43.93 95.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.277 0.561 . . . . 2.99 109.856 170.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.99 67.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.295 0.569 . . . . 1.14 109.937 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' B' ' 22' ' ' ALA . 48.8 mt -63.5 -34.37 67.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.308 -0.86 . . . . 0.97 110.08 172.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.678 HD11 ' C ' ' B' ' 58' ' ' GLY . 77.4 mt -55.67 -53.72 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.366 -0.379 . . . . 0.78 110.716 175.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -53.2 -46.6 69.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.812 -0.631 . . . . 1.58 111.672 -175.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -73.9 -50.12 21.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.376 . . . . 1.98 111.228 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.536 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 9.0 mp -65.26 -29.91 70.73 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 111.827 0.306 . . . . 0.7 111.827 -176.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -66.81 -45.87 76.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.982 0.42 . . . . 1.41 110.124 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -68.33 -44.59 75.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 1.98 110.064 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.407 ' HB3' ' HA ' ' B' ' 29' ' ' LEU . 11.7 tt0 -56.94 -46.65 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.902 -1.045 . . . . 1.93 111.431 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.5 OUTLIER -64.18 -42.26 96.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.865 -0.607 . . . . 1.22 110.224 -177.379 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -66.0 -28.27 68.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 3.5 110.935 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -86.74 -11.59 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.149 0.499 . . . . 2.69 110.83 -178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.64 42.02 33.6 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.952 -0.642 . . . . 0.53 111.949 -177.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.96 -44.39 97.22 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.231 -0.509 . . . . 0.53 113.095 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.52 ' HG ' ' HB1' ' A' ' 56' ' ' ALA . 4.2 mm? -93.3 -174.09 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.124 0.488 . . . . 0.83 111.777 -178.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m -69.58 167.19 17.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.501 -0.772 . . . . 1.42 111.158 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.3 p -59.53 -55.43 34.62 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.635 0.606 . . . . 1.63 112.635 -172.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.71 -43.28 93.98 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.886 0.374 . . . . 2.21 110.487 -177.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.603 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -59.41 -39.64 84.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.81 -0.632 . . . . 0.54 110.828 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.464 ' O ' HD21 ' B' ' 33' ' ' LEU . 8.8 tt0 -55.61 -56.63 18.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 1.57 111.147 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -62.25 -32.83 73.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.499 0.666 . . . . 2.36 110.247 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . 0.467 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 45.8 m -72.66 -41.08 65.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.227 -0.897 . . . . 1.04 111.525 -177.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 23.1 mt -58.83 -33.37 70.32 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 121.003 -0.279 . . . . 1.28 110.335 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.42 -51.76 68.52 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.769 -0.456 . . . . 1.75 109.769 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.6 t -56.65 -42.45 76.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.954 -0.566 . . . . 0.49 110.114 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.727 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -57.96 -42.81 85.74 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.504 -0.771 . . . . 0.48 110.495 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.541 HG13 ' O ' ' B' ' 46' ' ' LEU . 73.7 mt -61.57 -34.13 60.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.62 111.469 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' B' ' 54' ' ' GLU . 1.8 mp0 -63.71 -46.05 87.19 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.866 0.841 . . . . 1.84 109.913 174.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 45' ' ' SER . 30.5 m -60.13 -42.92 95.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.934 -1.03 . . . . 0.69 109.984 177.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 57.8 mt -64.4 -39.42 93.82 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.055 -0.975 . . . . 0.76 109.905 176.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.446 ' C ' ' HA ' ' B' ' 59' ' ' VAL . 43.1 tt0 -50.02 -28.09 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.135 0.574 . . . . 1.66 111.612 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.41 ' O ' HG12 ' B' ' 59' ' ' VAL . 8.5 m -82.36 -56.38 3.93 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.185 -0.606 . . . . 1.15 111.755 171.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.535 ' HB1' ' HG ' ' A' ' 38' ' ' LEU . . . -94.61 -45.73 7.26 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 117.658 2.466 . . . . 1.14 117.658 -171.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.429 ' HB3' HD22 ' B' ' 53' ' ' LEU . 11.4 t80 -148.12 49.25 1.05 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 115.28 1.585 . . . . 2.06 115.28 -141.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . 0.678 ' C ' HD11 ' B' ' 26' ' ' ILE . . . 109.32 58.33 0.53 Allowed Glycine 0 CA--C 1.475 -2.433 0 N-CA-C 106.425 -2.67 . . . . 2.6 106.425 -148.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.561 ' N ' HD11 ' B' ' 26' ' ' ILE . 0.0 OUTLIER -87.69 -169.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.213 1 CA-C-N 106.007 -5.096 . . . . 1.35 112.661 -167.022 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 36.2 p -69.73 179.02 2.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.364 0.602 . . . . 2.38 111.748 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' B' ' 64' ' ' SER . 13.7 p -75.11 -6.05 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.398 0.618 . . . . 2.21 110.927 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.39 -37.2 84.85 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.676 0.751 . . . . 4.0 109.368 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.455 ' OD1' ' HA ' ' B' ' 20' ' ' ARG . 8.3 t70 -66.19 -27.62 68.13 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.092 -0.958 . . . . 3.62 109.697 177.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' B' ' 61' ' ' VAL . 14.1 t -64.49 -27.93 69.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.892 -0.595 . . . . 2.92 110.035 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -66.91 -41.87 86.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.334 -0.394 . . . . 3.46 110.18 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.02 29.35 4.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.234 -0.439 . . . . 1.87 111.207 177.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.27 159.26 1.38 Allowed 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.366 0.876 . . . . 1.54 113.366 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 61.2 mt -81.62 149.16 63.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.21 -0.905 . . . . 1.56 110.802 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.98 -23.19 76.87 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.009 3.139 . . . . 2.75 114.281 -176.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . 0.47 ' OE1' ' HA ' ' A' ' 80' ' ' ALA . 3.3 pt20 -129.07 156.16 44.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.964 -0.384 . . . . 2.76 109.964 -173.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 16.4 p -79.36 140.29 37.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.836 -1.172 . . . . 1.55 107.836 170.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.638 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 4.4 mm? -83.93 -44.56 0.78 Allowed Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.666 -0.697 . . . . 1.79 112.487 -173.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' B' ' 76' ' ' PHE . 75.5 Cg_exo -47.74 -35.31 23.34 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.0 1.8 . . . . 1.06 113.157 173.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.14 -41.59 81.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.144 0.497 . . . . 2.27 110.31 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.465 HD11 ' NE2' ' B' ' 70' ' ' GLN . 27.4 mm -61.78 -39.92 85.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 1.37 110.495 175.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.638 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 12.9 m-30 -61.77 -33.54 74.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.628 -0.715 . . . . 2.37 110.531 -178.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -71.24 -32.54 68.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.191 -0.459 . . . . 2.51 111.078 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.25 -64.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.605 0.594 . . . . 0.64 112.605 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.02 -39.51 93.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.248 -0.433 . . . . 0.99 111.871 -171.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -72.89 -13.59 61.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.193 -0.458 . . . . 1.55 112.045 -173.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.2 t -107.4 -4.59 18.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.79 0.329 . . . . 2.33 110.73 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.98 120.3 0.8 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.821 -0.704 . . . . 2.59 112.06 -178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.748 -0.644 . . . . 4.4 110.446 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 109.849 -0.426 . . . . 3.68 109.849 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 7.7 m-20 -112.05 76.92 1.0 Allowed 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.139 -0.689 . . . . 2.4 109.139 175.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 29.6 p-10 -85.44 -18.32 33.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.353 -0.385 . . . . 2.52 110.845 -177.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HD2' ' CZ ' ' B' ' 28' ' ' PHE . 31.0 mmtp -71.53 -39.63 70.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.386 -0.37 . . . . 1.9 110.047 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.558 ' HE3' ' CG1' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -69.0 -20.32 64.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 1.49 110.353 174.36 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.672 ' O ' ' HB3' ' A' ' 23' ' ' TYR . 12.3 mtt180 -85.04 -13.24 51.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 2.34 110.477 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.542 ' O ' HG12 ' A' ' 25' ' ' ILE . 14.1 tp -75.16 -35.11 61.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.985 -0.746 . . . . 0.7 108.985 170.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.715 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -62.13 -33.64 74.86 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.534 -0.543 . . . . 0.83 109.534 172.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.968 ' CE1' ' HB2' ' A' ' 62' ' ' GLU . 62.7 t80 -50.35 -50.25 51.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.274 -0.875 . . . . 2.99 109.406 172.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' A' ' 72' ' ' LEU . . . -56.62 -47.02 80.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.276 -0.874 . . . . 1.14 111.453 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 21' ' ' LEU . 9.7 mm -67.75 -55.46 16.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.075 -0.966 . . . . 0.97 110.214 -172.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.5 HG22 HG23 ' A' ' 61' ' ' VAL . 45.0 mt -64.98 -38.25 82.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.114 -0.494 . . . . 0.78 110.586 -176.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -62.22 -49.15 76.87 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.653 0.263 . . . . 1.58 111.139 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' HB2' ' HG3' ' A' ' 73' ' ' PRO . 13.3 t80 -64.2 -56.14 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.259 0.552 . . . . 1.98 110.294 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.674 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 10.5 mp -60.88 -32.68 72.12 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.039 -0.982 . . . . 0.7 111.662 -176.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -55.75 -58.25 8.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.114 0.483 . . . . 1.41 111.1 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.68 -36.72 59.99 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.131 -0.486 . . . . 1.98 111.123 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.03 -34.03 74.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.995 0.426 . . . . 1.92 110.121 177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.674 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.46 -50.66 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.734 -0.667 . . . . 1.22 109.718 176.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 4.9 tpm_? -64.41 -31.52 72.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.63 -0.714 . . . . 3.49 111.151 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -82.17 -12.18 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.964 0.412 . . . . 2.68 111.057 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.69 37.71 67.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.036 -0.602 . . . . 0.53 112.134 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.87 -32.44 81.91 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.257 -0.497 . . . . 0.52 112.783 -177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.586 HD23 HD11 ' A' ' 46' ' ' LEU . 3.7 mm? -111.57 152.53 27.47 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.983 -0.377 . . . . 0.83 109.983 177.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.2 t -71.68 171.22 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 1.42 110.118 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 m -42.49 -57.42 2.65 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.632 0.975 . . . . 1.63 113.632 -169.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -64.85 -42.24 95.05 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.138 0.494 . . . . 2.2 111.252 -175.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 38' ' ' LEU . . . -71.97 -35.28 69.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.033 -0.531 . . . . 0.54 111.019 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.528 ' O ' HD21 ' A' ' 33' ' ' LEU . 9.0 tt0 -63.83 -52.68 59.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 1.56 110.662 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.32 -27.81 69.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.959 0.409 . . . . 2.36 110.436 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.3 m -67.53 -31.01 70.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 1.04 111.065 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.586 HD11 HD23 ' A' ' 38' ' ' LEU . 33.7 mt -63.57 -46.63 85.03 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 109.481 -0.563 . . . . 1.28 109.481 176.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 43.1 tt0 -58.52 -45.3 89.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 1.76 110.938 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.1 -42.54 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.49 110.41 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.64 94.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.48 110.82 177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 46' ' ' LEU . 75.6 mt -55.68 -48.46 77.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 0.61 110.552 176.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 31.3 mm-40 -62.12 -40.27 95.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.55 . . . . 1.84 110.896 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.0 m -68.65 -46.64 68.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.9 -0.591 . . . . 0.69 111.269 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 85.3 mt -69.38 -28.49 66.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.686 -0.234 . . . . 0.76 111.175 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' ' 59' ' ' VAL . 1.7 tm-20 -58.17 -49.82 75.69 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.505 -0.554 . . . . 1.65 109.505 173.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.7 m -68.79 -34.78 76.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.715 -0.675 . . . . 1.16 110.766 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HA ' ' HB1' ' B' ' 42' ' ' ALA . . . -58.2 -67.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.6 -0.727 . . . . 1.15 112.034 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.715 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 98.4 m-85 -83.51 -9.25 59.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.022 0.439 . . . . 2.05 111.81 -173.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.36 45.02 20.3 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.884 -0.674 . . . . 2.6 112.429 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.629 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 5.3 m -125.43 172.75 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-O 121.691 0.758 . . . . 1.35 111.646 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.575 ' OG1' ' HB2' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -90.02 -170.18 2.69 Favored 'General case' 0 N--CA 1.432 -1.345 0 N-CA-C 107.019 -1.475 . . . . 2.38 107.019 159.665 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.5 HG23 HG22 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -52.86 -59.78 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 118.76 0.709 . . . . 2.21 112.548 -177.771 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.968 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -149.92 7.29 0.63 Allowed 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 123.456 1.598 . . . . 4.01 107.911 -179.543 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.575 ' HB2' ' OG1' ' A' ' 60' ' ' THR . 8.9 t70 -31.61 -86.87 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 110.203 -3.181 . . . . 3.62 113.912 -134.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.7 t -123.57 -40.08 2.37 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.69 -0.804 . . . . 2.91 110.274 171.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -54.7 -26.87 36.51 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.25 -0.886 . . . . 3.46 111.578 -169.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.931 HD12 ' HB2' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -125.32 14.56 8.31 Favored 'General case' 0 N--CA 1.425 -1.704 0 C-N-CA 119.968 -0.693 . . . . 1.87 110.739 -173.179 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . . . -64.63 119.86 11.31 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.712 -0.676 . . . . 1.53 110.639 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 66' ' ' LEU . 95.8 mt -114.48 153.93 46.59 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.518 -0.765 . . . . 1.55 110.631 -173.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -42.45 -50.66 5.54 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 124.013 3.142 . . . . 2.74 113.524 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -123.42 178.14 5.3 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.553 -0.536 . . . . 2.75 109.553 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 49.9 p -85.01 140.48 31.0 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.441 0.639 . . . . 1.55 110.212 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.701 HD13 HD12 ' A' ' 75' ' ' ILE . 4.2 mm? -70.53 -36.28 5.5 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.131 -0.941 . . . . 1.79 112.625 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 72' ' ' LEU . 1.8 Cg_endo -48.2 -43.11 32.25 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 121.828 1.686 . . . . 1.07 112.057 172.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.56 -43.56 89.46 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.122 0.487 . . . . 2.28 110.461 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.701 HD12 HD13 ' A' ' 72' ' ' LEU . 66.4 mt -59.5 -36.19 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.813 -0.63 . . . . 1.38 110.186 176.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -75.46 -22.13 57.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.937 -0.574 . . . . 2.36 110.959 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 73' ' ' PRO . 44.1 mt-10 -71.71 -17.98 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.827 -0.434 . . . . 2.52 109.827 173.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.72 -44.89 9.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.871 -0.604 . . . . 0.65 110.779 171.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.15 -54.14 4.81 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.083 0.772 . . . . 0.99 113.083 -172.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.602 ' HA ' HD11 ' B' ' 72' ' ' LEU . . . -70.17 -13.25 62.11 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.1 0.476 . . . . 1.56 111.683 -173.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.0 m -81.1 -16.22 53.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.819 -0.628 . . . . 2.33 110.463 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.57 116.89 0.83 Allowed Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.762 -0.653 . . . . 2.59 111.524 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.581 -0.724 . . . . 4.41 110.11 -179.183 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.406 ' SD ' ' N ' ' B' ' 15' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.684 -0.487 . . . . 3.68 109.684 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 6.5 m-20 -112.04 77.33 1.03 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.044 -0.724 . . . . 2.42 109.044 175.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 29.5 p-10 -85.48 -18.55 33.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.172 -0.467 . . . . 2.52 110.786 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 31.0 mmtp -71.41 -39.68 70.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.426 -0.352 . . . . 1.89 110.147 -178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.578 ' HE3' ' CG1' ' B' ' 59' ' ' VAL . 0.0 OUTLIER -68.98 -20.42 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 1.49 110.42 174.385 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.689 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 12.1 mtt180 -84.09 -15.27 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.255 0.55 . . . . 2.34 110.413 175.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.542 ' O ' HG12 ' B' ' 25' ' ' ILE . 14.1 tp -73.73 -35.29 65.05 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.149 -0.686 . . . . 0.7 109.149 170.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.7 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -62.15 -33.62 74.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.578 -0.527 . . . . 0.83 109.578 172.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.973 ' CE1' ' HB2' ' B' ' 62' ' ' GLU . 62.8 t80 -50.37 -50.15 52.26 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.196 -0.911 . . . . 2.99 109.388 172.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' B' ' 72' ' ' LEU . . . -56.7 -47.05 80.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.318 -0.855 . . . . 1.14 111.371 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.542 HG12 ' O ' ' B' ' 21' ' ' LEU . 9.7 mm -67.72 -55.34 17.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.086 -0.961 . . . . 0.97 110.264 -172.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.523 HG22 HG23 ' B' ' 61' ' ' VAL . 44.7 mt -65.1 -38.25 82.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.106 -0.497 . . . . 0.78 110.561 -176.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.09 -49.19 76.93 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.834 0.35 . . . . 1.58 111.167 176.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.463 ' HB2' ' HG3' ' B' ' 73' ' ' PRO . 13.2 t80 -64.31 -56.15 16.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.23 0.538 . . . . 1.98 110.324 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.673 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 10.5 mp -60.75 -32.89 72.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.159 -0.928 . . . . 0.7 111.662 -176.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -55.59 -58.34 8.19 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.184 0.516 . . . . 1.41 111.039 178.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.6 -36.72 60.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.113 -0.494 . . . . 1.98 111.13 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.05 -34.13 74.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.043 0.449 . . . . 1.93 110.146 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.673 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -64.42 -50.6 66.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.665 -0.698 . . . . 1.22 109.702 176.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' B' ' 34' ' ' ARG . 4.9 tpm_? -64.42 -31.41 72.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.529 -0.76 . . . . 3.5 111.071 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -82.5 -11.88 58.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 2.69 111.048 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.5 37.69 69.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.122 -0.561 . . . . 0.53 112.073 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.85 -32.46 81.95 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.299 -0.477 . . . . 0.53 112.678 -177.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.601 HD23 HD11 ' B' ' 46' ' ' LEU . 3.7 mm? -111.67 152.67 27.42 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.891 -0.411 . . . . 0.83 109.891 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.8 t -71.73 171.09 12.2 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.295 -0.412 . . . . 1.42 110.11 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 8.8 m -42.52 -57.36 2.69 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.815 1.042 . . . . 1.63 113.815 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.94 -42.11 94.93 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.005 0.431 . . . . 2.21 111.218 -175.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' B' ' 38' ' ' LEU . . . -71.96 -35.28 69.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.136 -0.484 . . . . 0.54 111.07 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.531 ' O ' HD21 ' B' ' 33' ' ' LEU . 9.2 tt0 -63.82 -52.6 59.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.638 -0.71 . . . . 1.57 110.654 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.37 -27.94 69.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 2.36 110.505 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -67.5 -31.02 70.86 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.894 -0.593 . . . . 1.04 111.054 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.601 HD11 HD23 ' B' ' 38' ' ' LEU . 33.5 mt -63.57 -46.57 85.27 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.53 -0.545 . . . . 1.28 109.53 176.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 43.3 tt0 -58.63 -45.05 90.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.292 -0.867 . . . . 1.75 110.989 -178.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -64.35 -42.56 95.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 0.49 110.269 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.61 94.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.48 110.829 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 46' ' ' LEU . 75.8 mt -55.5 -48.58 77.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.62 110.626 176.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 30.6 mm-40 -62.08 -40.29 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 1.84 110.847 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 72.6 m -68.66 -46.66 68.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 0.69 111.207 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.409 ' HA ' ' HB3' ' B' ' 56' ' ' ALA . 85.7 mt -69.45 -28.54 66.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.675 -0.239 . . . . 0.76 111.163 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' B' ' 59' ' ' VAL . 1.7 tm-20 -58.01 -49.95 75.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.619 -0.511 . . . . 1.66 109.619 173.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -68.64 -34.81 76.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.597 -0.729 . . . . 1.15 110.7 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.437 ' HA ' ' HB1' ' A' ' 42' ' ' ALA . . . -58.17 -67.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.728 -0.669 . . . . 1.14 112.138 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.7 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 98.4 m-85 -83.56 -9.6 58.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.344 -0.389 . . . . 2.06 111.778 -173.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.68 44.91 19.12 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.978 -0.629 . . . . 2.6 112.316 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.63 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 5.4 m -125.26 172.89 12.24 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-O 121.626 0.727 . . . . 1.35 111.749 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' B' ' 63' ' ' ASP . 0.7 OUTLIER -90.49 -171.05 2.94 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 106.869 -1.53 . . . . 2.38 106.869 159.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.523 HG23 HG22 ' B' ' 26' ' ' ILE . 0.5 OUTLIER -53.87 -59.12 2.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 118.809 0.731 . . . . 2.21 112.594 -176.642 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.973 ' HB2' ' CE1' ' B' ' 23' ' ' TYR . 0.0 OUTLIER -146.4 7.66 1.01 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 123.262 1.506 . . . . 4.0 108.935 178.749 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.553 ' HA ' ' OE2' ' B' ' 62' ' ' GLU . 14.6 t70 -41.14 -83.51 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 111.355 -2.657 . . . . 3.62 115.027 -125.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 19.7 t -110.08 -48.38 3.2 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 119.76 1.164 . . . . 2.92 113.019 165.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -52.49 -26.65 13.57 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 112.412 -2.176 . . . . 3.46 111.339 -163.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.942 HD12 ' HB2' ' B' ' 23' ' ' TYR . 0.4 OUTLIER -125.04 14.66 8.47 Favored 'General case' 0 N--CA 1.421 -1.887 0 C-N-CA 120.056 -0.658 . . . . 1.87 110.644 -173.472 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.628 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . . . -64.49 119.94 11.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.917 -0.583 . . . . 1.54 110.544 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 66' ' ' LEU . 95.9 mt -114.77 154.09 46.86 Favored Pre-proline 0 C--N 1.316 -0.853 0 CA-C-N 115.568 -0.742 . . . . 1.56 110.578 -173.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -43.16 -49.68 7.02 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.946 3.098 . . . . 2.75 113.679 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -123.96 177.96 5.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.451 -0.574 . . . . 2.76 109.451 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.5 p -84.88 143.87 28.76 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.558 0.694 . . . . 1.55 109.862 177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.681 HD13 HD12 ' B' ' 75' ' ' ILE . 4.2 mm? -73.35 -36.15 3.02 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.016 -0.993 . . . . 1.79 112.284 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' B' ' 72' ' ' LEU . 1.7 Cg_endo -48.12 -43.04 31.96 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 121.806 1.671 . . . . 1.06 112.021 172.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.66 -43.8 88.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.047 0.451 . . . . 2.27 110.399 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.681 HD12 HD13 ' B' ' 72' ' ' LEU . 65.6 mt -59.3 -36.09 61.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.954 -0.566 . . . . 1.37 110.23 176.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -75.56 -22.08 57.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.993 -0.549 . . . . 2.37 111.0 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' B' ' 73' ' ' PRO . 45.2 mt-10 -71.47 -19.36 62.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.698 -0.482 . . . . 2.51 109.698 173.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.55 -46.01 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 0.64 110.977 171.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.62 -54.2 4.88 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.174 0.805 . . . . 0.99 113.174 -172.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.619 ' HA ' HD11 ' A' ' 72' ' ' LEU . . . -70.17 -13.3 62.13 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.105 0.478 . . . . 1.55 111.619 -173.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.1 m -81.24 -15.93 54.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.777 -0.647 . . . . 2.33 110.446 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.63 117.23 0.85 Allowed Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.741 -0.663 . . . . 2.59 111.48 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 65.1 tttm . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.485 -0.769 . . . . 4.4 110.003 -179.246 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 45.7 ttp . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.943 0.402 . . . . 3.68 110.465 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.66 93.22 4.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.103 -0.499 . . . . 2.4 110.298 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.468 ' OD1' ' HA ' ' B' ' 81' ' ' THR . 12.6 t30 -72.46 -6.02 40.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.442 0.639 . . . . 2.52 109.77 178.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -46.68 -47.54 20.29 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 114.85 -1.068 . . . . 1.9 110.191 173.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HB3' HG11 ' A' ' 59' ' ' VAL . 30.3 mtmt -62.7 -34.72 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.884 -1.053 . . . . 1.49 110.935 -175.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.712 ' O ' ' HB3' ' A' ' 23' ' ' TYR . 32.8 mtm180 -85.56 -13.82 47.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.542 -0.754 . . . . 2.34 111.058 -172.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.31 -49.18 75.0 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.752 -0.833 . . . . 0.7 108.752 167.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -61.09 -36.57 80.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.823 -0.626 . . . . 0.83 110.382 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.749 ' HB2' HD12 ' A' ' 66' ' ' LEU . 10.5 t80 -41.84 -58.77 1.91 Allowed 'General case' 0 N--CA 1.462 0.132 0 O-C-N 124.029 0.831 . . . . 2.99 111.658 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . . . -76.27 -26.42 55.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.087 -0.506 . . . . 1.14 111.799 -173.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 76.5 mt -66.28 -42.2 90.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.099 -0.704 . . . . 0.97 109.099 175.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.81 -50.85 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.733 -0.667 . . . . 0.78 110.304 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.522 ' NE2' HG12 ' A' ' 61' ' ' VAL . 28.8 mm-40 -57.02 -55.27 36.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.004 -0.544 . . . . 1.58 111.995 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -71.03 -47.99 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.082 -0.508 . . . . 1.98 111.365 -172.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.591 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 11.0 mp -65.09 -26.34 68.18 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.036 -0.265 . . . . 0.7 111.0 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -58.11 -54.14 50.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.308 0.575 . . . . 1.41 110.585 174.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.09 -37.29 54.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.988 -0.551 . . . . 1.98 110.839 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.66 -34.04 68.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.33 0.586 . . . . 1.92 109.823 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.593 HD23 ' HB2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -59.13 -53.98 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.93 -1.032 . . . . 1.22 109.895 176.487 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -78.89 -11.44 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.556 -0.747 . . . . 3.49 111.696 -175.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -89.29 -13.89 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 2.68 110.612 175.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.71 40.25 76.56 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.846 -0.616 . . . . 0.53 111.825 -178.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.9 -45.08 96.46 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 121.236 -0.507 . . . . 0.52 113.085 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.555 HD23 HD11 ' A' ' 46' ' ' LEU . 3.1 mm? -105.61 -177.59 3.41 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.922 -0.163 . . . . 0.83 110.582 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.5 t -71.6 -177.24 1.81 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.784 0.326 . . . . 1.42 111.074 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -59.09 -62.39 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 1.63 111.924 -174.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.9 -37.68 84.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 2.2 110.7 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.02 87.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.737 -0.665 . . . . 0.54 110.751 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.503 ' O ' HD21 ' A' ' 33' ' ' LEU . 8.8 tt0 -59.5 -53.88 53.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 1.56 110.122 177.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.87 -33.03 68.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.878 0.37 . . . . 2.36 110.904 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.5 m -66.0 -33.92 76.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 1.04 111.433 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.593 ' HB2' HD23 ' A' ' 33' ' ' LEU . 27.6 mt -60.94 -49.73 76.29 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.116 0.484 . . . . 1.28 109.736 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.27 -42.75 91.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.103 -0.953 . . . . 1.76 111.3 -175.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.34 -44.19 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.922 0.391 . . . . 0.49 110.106 177.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.76 92.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 0.48 110.913 178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 46' ' ' LEU . 67.2 mt -53.62 -55.12 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.028 -0.533 . . . . 0.61 110.684 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -63.85 -36.8 85.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 1.84 111.352 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.7 m -65.06 -50.18 67.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.69 110.889 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.87 -34.9 74.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.594 0.235 . . . . 0.76 111.177 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.39 -48.76 76.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.285 0.564 . . . . 1.65 109.826 175.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 m -73.52 -32.87 64.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.443 -0.798 . . . . 1.16 110.768 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.84 -54.97 35.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.951 -0.568 . . . . 1.15 111.743 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.595 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 88.1 m-85 -90.28 0.92 57.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.874 0.369 . . . . 2.05 111.535 -176.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.24 44.53 90.69 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.768 -0.651 . . . . 2.6 112.745 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 19' ' ' LYS . 7.9 m -126.4 177.94 4.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.746 0.308 . . . . 1.35 110.939 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 63' ' ' ASP . 2.7 p -118.3 -171.64 2.11 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.189 -0.671 . . . . 2.38 109.189 171.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.522 HG12 ' NE2' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -34.79 -69.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 122.456 1.122 . . . . 2.21 113.408 -173.001 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.492 ' HB2' ' HE1' ' A' ' 23' ' ' TYR . 12.5 pt-20 -147.12 12.38 1.08 Allowed 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.632 -1.622 . . . . 4.01 107.138 -174.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.56 ' HB2' ' OG1' ' A' ' 60' ' ' THR . 17.6 t70 -8.31 -86.39 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 111.092 -2.776 . . . . 3.62 109.851 -132.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.6 t -138.54 -35.27 0.6 Allowed 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.832 -0.747 . . . . 2.91 110.639 155.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.6 -15.39 63.63 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.352 0.501 . . . . 3.46 112.352 -168.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.749 HD12 ' HB2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -111.67 11.69 21.1 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 120.191 -0.604 . . . . 1.87 110.557 -178.556 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . . . -60.75 129.3 40.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.696 -0.684 . . . . 1.53 110.702 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 67.2 mt -121.41 141.45 33.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 110.413 -0.217 . . . . 1.55 110.413 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -47.23 -53.34 6.51 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.045 2.497 . . . . 2.74 113.566 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -113.89 159.22 20.1 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.934 -0.395 . . . . 2.75 109.934 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 53.3 p -74.74 139.65 43.55 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.314 0.578 . . . . 1.55 110.045 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.627 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 65.5 mt -72.1 -40.25 7.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.34 -0.846 . . . . 1.79 113.238 -173.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -46.95 -35.75 18.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.963 1.775 . . . . 1.07 113.162 175.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.11 -44.32 80.24 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.175 0.512 . . . . 2.28 109.815 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.97 -38.72 75.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.601 -0.727 . . . . 1.38 109.926 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.627 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 14.8 m-30 -66.91 -35.82 80.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.476 -0.783 . . . . 2.36 110.9 -175.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -75.68 -16.03 60.23 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.551 -0.459 . . . . 2.52 110.807 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.38 -54.83 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.65 111.45 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.19 -52.63 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.186 0.517 . . . . 0.99 111.815 -175.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -68.44 -9.86 51.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.397 -0.82 . . . . 1.56 111.86 -172.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.481 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 7.2 t -72.35 -16.61 61.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.107 0.479 . . . . 2.33 110.662 177.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.61 102.86 0.16 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.943 -0.646 . . . . 2.59 111.799 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.0 tttp . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.588 -0.72 . . . . 4.41 109.929 -178.437 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 45.4 ttp . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.827 0.346 . . . . 3.68 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.62 93.19 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.305 -0.407 . . . . 2.42 110.345 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.481 ' OD1' ' HA ' ' A' ' 81' ' ' THR . 12.5 t30 -72.46 -6.0 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.434 0.635 . . . . 2.52 109.665 178.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -46.73 -47.42 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.927 -1.033 . . . . 1.89 110.118 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.515 ' HB3' HG11 ' B' ' 59' ' ' VAL . 30.3 mtmt -62.83 -34.99 78.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.104 -0.953 . . . . 1.49 110.947 -175.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.713 ' O ' ' HB3' ' B' ' 23' ' ' TYR . 31.9 mtm180 -84.26 -15.67 45.92 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.43 -0.805 . . . . 2.34 111.158 -173.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.03 -49.3 76.55 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.909 -0.775 . . . . 0.7 108.909 167.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.592 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -61.2 -36.66 80.49 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.815 -0.629 . . . . 0.83 110.283 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.755 ' HB2' HD12 ' B' ' 66' ' ' LEU . 10.5 t80 -41.76 -58.74 1.89 Allowed 'General case' 0 C--N 1.333 -0.141 0 O-C-N 124.06 0.85 . . . . 2.99 111.647 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.45 ' HB2' ' HG ' ' B' ' 72' ' ' LEU . . . -76.4 -26.32 55.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.131 -0.486 . . . . 1.14 111.746 -173.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 76.7 mt -66.31 -42.18 90.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.074 -0.713 . . . . 0.97 109.074 175.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.419 HG21 ' HA ' ' B' ' 61' ' ' VAL . 85.0 mt -64.8 -50.81 73.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.73 -0.668 . . . . 0.78 110.347 174.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.52 ' NE2' HG12 ' B' ' 61' ' ' VAL . 28.0 mm-40 -57.09 -55.19 37.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.015 -0.539 . . . . 1.58 111.959 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -71.14 -48.0 54.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.179 -0.464 . . . . 1.98 111.395 -172.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 11.0 mp -64.96 -26.3 68.24 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.116 -0.233 . . . . 0.7 110.977 -178.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -58.24 -54.2 49.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.315 0.579 . . . . 1.41 110.48 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -37.27 55.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.844 -0.616 . . . . 1.98 110.916 -178.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -57.65 -34.09 68.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.29 0.567 . . . . 1.93 109.771 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.585 HD23 ' HB2' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -59.05 -53.87 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.966 -1.016 . . . . 1.22 110.017 176.404 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -79.08 -11.32 59.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.538 -0.756 . . . . 3.5 111.591 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -89.43 -13.61 37.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.0 0.429 . . . . 2.69 110.702 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.57 40.2 78.09 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.815 -0.63 . . . . 0.53 111.909 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.71 -45.28 95.97 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.281 -0.485 . . . . 0.53 112.997 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.543 HD23 HD11 ' B' ' 46' ' ' LEU . 3.1 mm? -105.5 -177.37 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.483 -0.191 . . . . 0.83 110.483 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.0 t -71.97 -176.85 1.83 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.656 0.265 . . . . 1.42 111.084 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 44.4 t -59.36 -62.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 1.63 111.808 -174.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.84 -37.54 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.081 0.467 . . . . 2.21 110.687 -177.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.9 88.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.758 -0.656 . . . . 0.54 110.718 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.513 ' O ' HD21 ' B' ' 33' ' ' LEU . 8.8 tt0 -59.58 -53.74 54.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.638 -0.71 . . . . 1.57 110.109 177.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.93 -33.1 68.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.824 0.345 . . . . 2.36 110.912 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 36.3 m -65.88 -34.08 77.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.879 -0.601 . . . . 1.04 111.398 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.585 ' HB2' HD23 ' B' ' 33' ' ' LEU . 27.9 mt -60.99 -49.62 76.68 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.133 0.492 . . . . 1.28 109.768 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.33 -42.67 92.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.164 -0.925 . . . . 1.75 111.305 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 44.2 t -64.42 -44.1 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.985 -0.376 . . . . 0.49 109.985 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.8 92.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.039 -0.528 . . . . 0.48 110.861 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 46' ' ' LEU . 67.0 mt -53.48 -55.22 14.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.936 -0.574 . . . . 0.62 110.674 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -63.82 -36.77 84.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.84 111.359 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.98 -50.3 66.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.105 -0.498 . . . . 0.69 110.963 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.84 -34.87 74.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.621 0.248 . . . . 0.76 111.215 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.42 -48.8 76.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.275 0.559 . . . . 1.66 109.798 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 16.1 m -73.45 -32.86 64.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.449 -0.796 . . . . 1.15 110.822 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.98 -54.64 40.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.872 -0.603 . . . . 1.14 111.784 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.592 ' CD2' ' HB2' ' B' ' 22' ' ' ALA . 87.9 m-85 -90.52 1.19 56.93 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.015 0.435 . . . . 2.06 111.504 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.76 44.91 91.39 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.788 -0.642 . . . . 2.6 112.764 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.515 HG11 ' HB3' ' B' ' 19' ' ' LYS . 7.6 m -126.6 178.13 4.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.863 0.363 . . . . 1.35 110.87 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . 0.61 ' OG1' ' HB2' ' B' ' 63' ' ' ASP . 2.8 p -118.81 -171.43 2.09 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.71 -0.677 . . . . 2.38 109.225 171.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.52 HG12 ' NE2' ' B' ' 27' ' ' GLN . 0.2 OUTLIER -39.92 -63.65 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 114.018 1.118 . . . . 2.21 114.018 -169.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.491 ' HB2' ' HE1' ' B' ' 23' ' ' TYR . 12.7 pt-20 -147.52 18.09 1.17 Allowed 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.163 -1.38 . . . . 4.0 108.918 -176.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.61 ' HB2' ' OG1' ' B' ' 60' ' ' THR . 13.4 t70 -29.28 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 118.679 -1.209 . . . . 3.62 110.434 -117.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . 0.266 38.2 t -117.34 -45.53 2.72 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 122.884 2.583 . . . . 2.92 114.181 147.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.09 -14.67 61.06 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 112.566 -2.107 . . . . 3.46 111.977 -159.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.755 HD12 ' HB2' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -111.6 11.55 21.21 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 120.063 -0.655 . . . . 1.87 110.362 -178.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . . . -60.76 129.09 39.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.71 -0.677 . . . . 1.54 110.583 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 67.6 mt -121.29 141.77 33.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 119.589 -0.243 . . . . 1.56 110.407 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -48.58 -51.05 11.0 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.972 2.448 . . . . 2.75 113.821 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -115.29 159.2 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.785 -0.45 . . . . 2.76 109.785 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.4 p -74.8 143.42 43.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.226 -0.589 . . . . 1.55 109.488 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.613 ' HB3' ' CZ ' ' B' ' 76' ' ' PHE . 67.1 mt -75.24 -39.98 3.38 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.4 -0.818 . . . . 1.79 112.989 -173.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.92 -35.93 19.19 Favored 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 122.038 1.825 . . . . 1.06 113.1 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.92 -44.63 80.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.113 0.483 . . . . 2.27 109.82 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.62 -38.88 73.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 115.665 -0.698 . . . . 1.37 109.962 173.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 14.8 m-30 -66.81 -35.78 80.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.445 -0.798 . . . . 2.37 110.905 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -75.58 -16.92 60.19 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.967 -0.458 . . . . 2.51 110.677 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.98 -55.46 3.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.64 111.56 177.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.9 -52.74 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.234 0.54 . . . . 0.99 111.882 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -67.56 -11.69 58.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.356 -0.838 . . . . 1.55 111.813 -172.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.468 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 6.9 t -71.02 -16.66 62.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.071 0.462 . . . . 2.33 110.793 177.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.5 102.95 0.16 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 121.016 -0.612 . . . . 2.59 111.838 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.342 -0.837 . . . . 4.4 110.064 -178.379 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.8 ttp . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.039 0.447 . . . . 3.68 110.369 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 6.3 m-20 -82.44 103.32 11.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.905 -0.589 . . . . 2.4 110.374 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.476 ' OD1' ' HD2' ' A' ' 18' ' ' LYS . 30.9 p-10 -74.25 -6.25 46.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.689 0.281 . . . . 2.52 110.486 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HD2' ' OD1' ' A' ' 17' ' ' ASN . 11.8 mptt -75.32 -51.75 12.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 1.9 110.742 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HB2' ' CG1' ' A' ' 59' ' ' VAL . 21.0 ptmt -63.76 -39.84 95.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.244 0.545 . . . . 1.49 110.599 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.521 HH11 ' HG ' ' A' ' 68' ' ' LEU . 79.2 mtt180 -62.68 -41.58 99.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.546 -0.752 . . . . 2.34 109.627 177.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.728 HD13 ' CE2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -62.08 -37.72 86.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.723 -0.671 . . . . 0.7 110.114 179.554 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB2' ' CD2' ' A' ' 57' ' ' PHE . . . -56.35 -31.03 63.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.312 -0.404 . . . . 0.83 110.815 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CD2' ' HB3' ' A' ' 63' ' ' ASP . 15.7 t80 -62.94 -39.19 93.87 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.013 -0.54 . . . . 2.99 110.409 176.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 69' ' ' PRO . . . -55.0 -43.2 73.39 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.178 0.513 . . . . 1.14 111.107 173.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.495 HD11 HD11 ' A' ' 21' ' ' LEU . 13.6 mm -63.83 -51.41 69.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.903 -1.044 . . . . 0.97 109.389 -176.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.492 HG12 HG23 ' A' ' 50' ' ' ILE . 81.1 mt -60.55 -51.31 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.159 -0.928 . . . . 0.78 110.909 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.696 ' HB3' HG23 ' A' ' 71' ' ' THR . 15.1 mm-40 -50.54 -59.46 4.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.797 -0.638 . . . . 1.58 112.249 -176.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.652 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 68.5 t80 -78.38 -61.78 1.9 Allowed 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.699 -0.401 . . . . 1.98 111.694 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.544 ' HA ' HE21 ' A' ' 32' ' ' GLN . 7.2 mp -56.91 -24.29 51.19 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.66 0.615 . . . . 0.7 112.66 -172.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -87.78 -38.19 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.126 -0.629 . . . . 1.41 110.856 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -67.32 -47.91 69.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 1.98 109.938 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.544 HE21 ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.47 -30.87 69.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.986 -1.006 . . . . 1.92 110.642 175.325 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -60.63 -41.71 95.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 1.22 110.233 -178.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -75.06 -22.87 58.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.107 -0.497 . . . . 3.49 110.86 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -85.34 -33.23 22.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.393 . . . . 2.68 111.589 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.576 ' HA2' ' OE1' ' A' ' 43' ' ' GLN . . . 102.37 43.44 2.01 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.694 -0.765 . . . . 0.53 112.773 177.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.51 -60.48 5.03 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.52 112.678 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.11 176.08 9.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.722 -0.281 . . . . 0.83 110.921 178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 t -66.62 167.71 10.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 1.42 111.087 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 6.4 p -54.63 -53.87 49.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.931 0.345 . . . . 1.63 111.931 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.19 -37.85 88.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.044 0.449 . . . . 2.2 110.76 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' A' ' 46' ' ' LEU . . . -62.68 -40.41 97.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.785 -0.643 . . . . 0.54 110.546 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.576 ' OE1' ' HA2' ' A' ' 36' ' ' GLY . 20.6 mt-30 -52.26 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.697 -0.683 . . . . 1.56 111.187 176.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 48' ' ' VAL . 37.4 mm-40 -48.78 -38.53 22.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.307 -0.86 . . . . 2.36 111.633 177.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.2 m -67.56 -39.68 84.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.358 -0.383 . . . . 1.04 111.691 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 42' ' ' ALA . 42.4 mt -66.68 -35.99 81.46 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.019 -0.363 . . . . 1.28 110.019 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 7.4 tp10 -54.87 -55.51 29.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 1.76 109.975 176.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 44' ' ' GLU . 16.0 t -52.57 -50.27 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.283 -0.871 . . . . 0.49 110.41 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -60.74 -50.34 73.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.171 -0.922 . . . . 0.48 111.632 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.499 HD11 ' CB ' ' A' ' 29' ' ' LEU . 61.5 mt -61.82 -42.01 92.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.987 -0.551 . . . . 0.61 111.65 -176.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 74.3 mm-40 -63.32 -39.63 95.08 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.071 0.463 . . . . 1.84 110.435 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 79.6 m -68.91 -42.54 76.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 0.69 110.573 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 49' ' ' ALA . 95.3 mt -62.86 -46.45 87.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.616 0.246 . . . . 0.76 111.18 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -55.8 -45.34 78.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 1.65 110.289 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.7 m -74.88 -35.27 62.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.723 -0.671 . . . . 1.16 111.157 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.01 -55.84 22.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.114 0.483 . . . . 1.15 111.241 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 19' ' ' LYS . 92.9 m-85 -77.28 -27.37 53.09 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.832 -0.622 . . . . 2.05 110.977 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.07 42.15 45.11 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.866 -0.606 . . . . 2.6 111.634 -176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 19' ' ' LYS . 27.4 m -113.33 153.22 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.923 0.392 . . . . 1.35 111.693 -174.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.9 p -142.35 -168.18 2.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.751 -0.659 . . . . 2.38 110.576 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.448 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 12.4 p -60.72 -11.11 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-O 121.856 0.836 . . . . 2.21 112.117 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 65' ' ' ASP . 20.6 mm-40 -56.87 -23.33 43.69 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.918 -0.489 . . . . 4.01 110.707 176.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.592 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 14.0 t70 -69.22 -26.66 64.92 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.33 -0.395 . . . . 3.62 110.617 178.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -65.33 -32.67 74.44 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.956 -0.387 . . . . 2.91 109.956 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 65.0 m-20 -61.94 -32.62 73.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 3.46 110.736 175.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.57 ' O ' HD23 ' A' ' 68' ' ' LEU . 3.7 pp -110.03 30.12 7.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.407 -0.36 . . . . 1.87 111.059 176.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -30.19 109.78 0.06 Allowed 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 123.052 1.406 . . . . 1.53 114.352 -165.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.97 HD13 ' HD2' ' A' ' 69' ' ' PRO . 0.1 OUTLIER -127.15 -143.8 0.0 OUTLIER Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 111.719 -2.491 . . . . 1.55 107.59 -169.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.97 ' HD2' HD13 ' A' ' 68' ' ' LEU . 11.6 Cg_exo -32.92 24.05 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.883 1 C-N-CA 126.36 4.706 . . . . 2.74 116.208 147.067 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.826 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 1.9 pt20 -57.4 -168.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 124.886 1.275 . . . . 2.75 108.292 159.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.696 HG23 ' HB3' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -44.66 114.43 0.7 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 119.233 0.924 . . . . 1.55 111.851 -171.325 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 70' ' ' GLN . 0.9 OUTLIER -90.72 -30.02 0.34 Allowed Pre-proline 0 C--O 1.181 -2.536 0 CA-C-O 116.592 -1.67 . . . . 1.79 114.939 -177.561 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.652 ' HG2' ' CG ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -30.68 -36.98 0.05 OUTLIER 'Trans proline' 0 CA--C 1.552 1.383 0 C-N-CA 122.923 2.415 . . . . 1.07 116.336 -172.703 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' LEU . 1.3 tm-20 -80.23 -55.85 4.63 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 118.267 0.485 . . . . 2.28 109.968 171.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.577 ' HB ' ' HG ' ' A' ' 72' ' ' LEU . 56.5 mt -44.73 -51.46 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-O 121.625 0.726 . . . . 1.38 110.866 170.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.718 ' CE2' HD13 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -62.88 -44.81 95.12 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 114.727 -1.124 . . . . 2.36 110.526 -177.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 73' ' ' PRO . 11.0 tp10 -53.88 -27.28 29.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.788 0.804 . . . . 2.52 109.606 178.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.61 2.22 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.778 -1.101 . . . . 0.65 111.481 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.07 67.46 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.056 0.455 . . . . 0.99 111.394 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HA ' ' HD3' ' B' ' 69' ' ' PRO . . . -69.19 -40.6 77.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.387 -0.824 . . . . 1.56 111.773 -175.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 p -82.37 -31.93 29.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.197 -0.456 . . . . 2.33 111.497 -176.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.26 54.86 4.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 2.59 112.49 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.676 -0.678 . . . . 4.41 109.702 179.137 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 57.2 ttp . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 121.018 0.437 . . . . 3.68 110.389 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 6.7 m-20 -82.78 103.51 12.33 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.915 -0.584 . . . . 2.42 110.251 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.494 ' OD1' ' HD2' ' B' ' 18' ' ' LYS . 31.2 p-10 -74.46 -6.05 46.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.755 0.312 . . . . 2.52 110.532 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.494 ' HD2' ' OD1' ' B' ' 17' ' ' ASN . 11.8 mptt -75.21 -51.86 12.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.89 110.735 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' B' ' 59' ' ' VAL . 21.0 ptmt -63.63 -40.03 95.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.281 0.563 . . . . 1.49 110.591 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.54 HH11 ' HG ' ' B' ' 68' ' ' LEU . 79.0 mtt180 -62.58 -41.65 99.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.507 -0.769 . . . . 2.34 109.638 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.718 HD13 ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -62.07 -37.61 85.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.734 -0.666 . . . . 0.7 110.151 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.416 ' HB2' ' CD2' ' B' ' 57' ' ' PHE . . . -56.4 -30.98 63.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.257 -0.428 . . . . 0.83 110.866 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' B' ' 63' ' ' ASP . 15.9 t80 -63.04 -39.21 94.06 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.941 -0.572 . . . . 2.99 110.361 176.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' B' ' 69' ' ' PRO . . . -54.93 -43.08 73.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.284 0.564 . . . . 1.14 111.238 173.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.487 HD11 HD11 ' B' ' 21' ' ' LEU . 13.4 mm -63.92 -51.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.807 -1.088 . . . . 0.97 109.45 -176.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.476 HG12 HG23 ' B' ' 50' ' ' ILE . 81.2 mt -60.55 -51.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.111 -0.95 . . . . 0.78 110.856 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.689 ' HB3' HG23 ' B' ' 71' ' ' THR . 15.3 mm-40 -50.28 -59.75 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 1.58 112.297 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.661 ' CG ' ' HG2' ' B' ' 73' ' ' PRO . 68.3 t80 -78.21 -61.91 1.85 Allowed 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.791 -0.364 . . . . 1.98 111.704 -176.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.543 ' HA ' HE21 ' B' ' 32' ' ' GLN . 7.2 mp -56.83 -24.46 51.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.75 0.648 . . . . 0.7 112.75 -172.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -87.32 -38.39 16.29 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.179 -0.609 . . . . 1.41 110.872 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -67.25 -48.03 68.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.584 0.707 . . . . 1.98 110.024 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.543 HE21 ' HA ' ' B' ' 29' ' ' LEU . 0.0 OUTLIER -60.43 -30.73 69.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.072 -0.967 . . . . 1.93 110.706 175.32 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -60.7 -41.69 95.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 1.22 110.306 -178.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -75.09 -23.02 57.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 3.5 110.823 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -85.17 -33.13 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.477 -0.329 . . . . 2.69 111.547 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . 0.595 ' HA2' ' OE1' ' B' ' 43' ' ' GLN . . . 102.54 42.67 2.12 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.618 -0.801 . . . . 0.53 112.886 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.1 -60.75 4.99 Favored Glycine 0 CA--C 1.517 0.176 0 C-N-CA 120.774 -0.727 . . . . 0.53 112.65 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.87 176.06 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.584 0.231 . . . . 0.83 110.903 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 32.2 t -66.73 167.99 10.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.335 -0.393 . . . . 1.42 111.247 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 7.7 p -54.82 -53.7 51.81 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.941 0.348 . . . . 1.63 111.941 -175.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -65.33 -37.86 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.091 0.472 . . . . 2.21 110.765 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.55 ' O ' ' HG ' ' B' ' 46' ' ' LEU . . . -62.6 -40.45 96.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 0.54 110.518 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.595 ' OE1' ' HA2' ' B' ' 36' ' ' GLY . 20.7 mt-30 -52.09 -65.69 0.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.785 -0.643 . . . . 1.57 111.25 176.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.503 ' O ' HG23 ' B' ' 48' ' ' VAL . 34.8 mm-40 -48.75 -38.5 21.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.167 -0.924 . . . . 2.36 111.622 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -67.43 -39.88 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 1.04 111.645 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' B' ' 42' ' ' ALA . 41.7 mt -66.47 -36.18 82.12 Favored 'General case' 0 C--O 1.225 -0.228 0 N-CA-C 110.058 -0.349 . . . . 1.28 110.058 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' B' ' 51' ' ' GLN . 7.5 tp10 -54.8 -55.48 29.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.75 109.998 176.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 44' ' ' GLU . 15.9 t -52.64 -50.45 41.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.321 -0.854 . . . . 0.49 110.332 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' B' ' 53' ' ' LEU . . . -60.58 -50.23 74.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.203 -0.908 . . . . 0.48 111.745 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.498 HD11 ' CB ' ' B' ' 29' ' ' LEU . 61.4 mt -61.88 -42.04 93.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.976 -0.556 . . . . 0.62 111.603 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 74.5 mm-40 -63.28 -39.83 95.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.103 0.478 . . . . 1.84 110.38 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -68.65 -42.54 77.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 0.69 110.667 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 49' ' ' ALA . 95.4 mt -62.89 -46.47 87.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.645 0.259 . . . . 0.76 111.151 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.94 -45.04 78.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 1.66 110.376 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.6 m -75.11 -35.19 61.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.692 -0.685 . . . . 1.15 111.189 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.0 -55.9 21.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 1.14 111.316 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' B' ' 19' ' ' LYS . 91.9 m-85 -77.64 -26.61 50.61 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.972 -0.558 . . . . 2.06 111.059 -178.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.79 42.17 47.09 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.757 -0.656 . . . . 2.6 111.683 -176.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' B' ' 19' ' ' LYS . 28.4 m -113.3 152.76 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.891 0.377 . . . . 1.35 111.727 -174.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 38.8 p -141.9 -169.98 3.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 2.38 110.625 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.453 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 12.8 p -59.12 -11.3 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-O 121.82 0.819 . . . . 2.21 112.263 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 65' ' ' ASP . 21.3 mm-40 -56.92 -23.13 42.82 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.908 -0.495 . . . . 4.0 110.708 176.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.579 ' HB3' ' CD2' ' B' ' 23' ' ' TYR . 14.1 t70 -69.51 -26.66 64.64 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.299 -0.41 . . . . 3.62 110.461 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m -65.51 -32.31 73.84 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.893 0.378 . . . . 2.92 110.007 173.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 65.5 m-20 -62.04 -32.56 73.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.168 -0.469 . . . . 3.46 110.722 175.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.579 ' O ' HD23 ' B' ' 68' ' ' LEU . 3.7 pp -109.23 27.97 8.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.354 -0.385 . . . . 1.87 111.489 176.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -29.44 109.07 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 123.935 1.826 . . . . 1.54 115.019 -165.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.972 HD13 ' HD2' ' B' ' 69' ' ' PRO . 0.2 OUTLIER -128.31 -156.32 0.03 OUTLIER Pre-proline 0 C--N 1.299 -1.599 0 C-N-CA 130.482 3.513 . . . . 1.56 106.462 -166.12 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . 0.972 ' HD2' HD13 ' B' ' 68' ' ' LEU . 13.0 Cg_exo -26.0 20.18 0.0 OUTLIER 'Trans proline' 0 CA--C 1.563 1.944 0 C-N-CA 124.928 3.752 . . . . 2.75 116.531 149.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . 0.872 ' HG2' ' O ' ' B' ' 68' ' ' LEU 0.26 1.9 pt20 -61.64 -168.18 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 106.106 -1.813 . . . . 2.76 106.106 163.263 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.689 HG23 ' HB3' ' B' ' 27' ' ' GLN 0.287 0.3 OUTLIER -56.93 127.69 33.09 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 122.25 2.296 . . . . 1.55 108.727 -157.802 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.645 HD12 ' O ' ' B' ' 70' ' ' GLN . 1.1 mp -91.64 -34.31 0.35 Allowed Pre-proline 0 C--O 1.181 -2.545 0 CA-C-N 112.834 -1.985 . . . . 1.79 115.398 -176.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.661 ' HG2' ' CG ' ' B' ' 28' ' ' PHE . 0.1 OUTLIER -30.54 -36.12 0.04 OUTLIER 'Trans proline' 0 CA--C 1.55 1.323 0 C-N-CA 123.105 2.537 . . . . 1.06 116.12 -170.368 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' B' ' 72' ' ' LEU . 1.3 tm-20 -80.76 -55.87 4.53 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 118.211 0.459 . . . . 2.27 109.944 171.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.583 ' HB ' ' HG ' ' B' ' 72' ' ' LEU . 55.5 mt -44.51 -51.76 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-O 121.536 0.684 . . . . 1.37 110.874 169.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.728 ' CE2' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -62.94 -44.62 95.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 114.867 -1.061 . . . . 2.37 110.488 -177.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' B' ' 73' ' ' PRO . 10.7 tp10 -53.96 -27.33 30.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.738 0.78 . . . . 2.51 109.614 178.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.75 -59.51 2.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.759 -1.11 . . . . 0.64 111.502 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.31 -35.07 67.13 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.107 0.479 . . . . 0.99 111.433 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.49 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . . . -69.51 -40.21 77.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.417 -0.811 . . . . 1.55 111.767 -174.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.8 p -82.73 -31.56 28.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 2.33 111.54 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.61 55.28 4.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 2.59 112.435 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.41 -0.805 . . . . 4.4 109.92 179.103 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.799 0.333 . . . . 3.68 110.257 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.75 104.15 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.058 -0.519 . . . . 2.4 110.945 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' B' ' 77' ' ' GLU . 26.4 p-10 -73.82 -18.75 60.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.089 0.471 . . . . 2.52 110.349 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -71.21 -23.42 62.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.74 -0.663 . . . . 1.9 112.409 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.595 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 15.5 ptmt -87.06 -20.71 26.77 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.901 -0.32 . . . . 1.49 110.576 174.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.39 -40.03 52.03 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.495 -0.928 . . . . 2.34 108.495 172.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 5.9 tp -60.9 -42.59 98.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.618 -1.173 . . . . 0.7 109.418 168.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.759 ' HB1' ' O ' ' A' ' 58' ' ' GLY . . . -59.33 -46.33 88.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.98 -1.009 . . . . 0.83 110.932 175.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 64' ' ' SER . 86.9 t80 -51.88 -41.39 61.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.275 -0.875 . . . . 2.99 110.293 178.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.713 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . . . -55.38 -45.54 76.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.398 -0.819 . . . . 1.14 111.683 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 46.3 mt -75.49 -44.91 40.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 114.856 -1.065 . . . . 0.97 111.048 -170.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.791 HD12 HG23 ' A' ' 59' ' ' VAL . 7.0 mt -64.69 -46.77 91.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 C-N-CA 120.186 -0.605 . . . . 0.78 110.258 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -60.95 -64.94 0.78 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.908 0.706 . . . . 1.58 112.908 -176.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.605 ' HB2' ' CG ' ' A' ' 73' ' ' PRO . 34.5 t80 -58.21 -51.78 68.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.132 0.492 . . . . 1.98 111.172 -174.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 25' ' ' ILE . 11.1 mp -61.0 -29.75 69.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.57 -0.741 . . . . 0.7 111.743 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 25.6 t-80 -72.66 -42.44 64.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.652 0.263 . . . . 1.41 110.539 177.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.18 -44.35 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.895 0.379 . . . . 1.98 110.296 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 -37.07 76.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.993 -0.548 . . . . 1.92 109.994 175.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -60.5 -38.7 85.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.512 -0.767 . . . . 1.22 110.753 -178.424 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -83.25 -12.57 56.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.225 -0.443 . . . . 3.49 110.905 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -97.86 -28.98 13.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.818 0.342 . . . . 2.68 111.557 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.444 ' HA2' ' OE1' ' A' ' 43' ' ' GLN . . . 86.67 43.19 6.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.823 -0.703 . . . . 0.53 111.931 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.74 -46.03 71.06 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.156 -0.545 . . . . 0.52 113.47 -175.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.497 ' HG ' ' HB1' ' B' ' 56' ' ' ALA . 4.4 mm? -89.25 -100.23 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.92 0.341 . . . . 0.83 111.92 -177.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 t -142.3 164.23 30.69 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.254 -0.276 . . . . 1.42 110.254 -176.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 47.3 m -60.58 -57.14 14.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.179 0.437 . . . . 1.63 112.179 -173.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.08 -34.23 77.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 2.2 110.41 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HB1' ' HA ' ' B' ' 56' ' ' ALA . . . -58.89 -40.1 83.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.616 -0.72 . . . . 0.54 110.769 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 40' ' ' SER . 18.9 mt-30 -53.88 -68.02 0.21 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.572 -0.74 . . . . 1.56 111.36 178.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -53.97 -34.51 59.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.855 -0.612 . . . . 2.36 111.882 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.47 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 70.9 m -66.72 -33.84 76.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.458 0.17 . . . . 1.04 111.458 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.505 ' HB2' HD21 ' A' ' 33' ' ' LEU . 20.2 mt -69.07 -29.03 67.06 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 120.627 -0.429 . . . . 1.28 110.776 179.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.19 -39.51 92.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.203 -0.665 . . . . 1.76 109.203 175.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.1 t -65.61 -47.88 84.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.57 -0.741 . . . . 0.49 109.749 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' B' ' 49' ' ' ALA . . . -57.33 -46.6 83.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.267 -0.879 . . . . 0.48 111.419 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.0 mt -56.35 -45.44 81.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.836 -0.62 . . . . 0.61 111.676 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -76.69 -37.44 56.13 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.789 -0.364 . . . . 1.84 111.808 -177.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' B' ' 45' ' ' SER . 76.0 m -64.53 -38.65 91.75 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.457 0.646 . . . . 0.69 109.503 174.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.45 -51.58 68.87 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.407 -0.815 . . . . 0.76 109.463 170.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.919 ' HA ' ' O ' ' A' ' 57' ' ' PHE . 5.7 tt0 -57.11 -22.91 43.28 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.857 0.723 . . . . 1.65 110.844 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.0 m -64.37 -45.57 87.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.159 -0.473 . . . . 1.16 110.338 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.58 ' HA ' ' HB1' ' B' ' 42' ' ' ALA . . . -68.98 -73.07 0.16 Allowed 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.334 -0.987 . . . . 1.15 108.334 170.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.919 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 3.5 p90 -138.6 -49.68 0.54 Allowed 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 108.369 -0.974 . . . . 2.05 108.369 157.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.759 ' O ' ' HB1' ' A' ' 22' ' ' ALA . . . 54.26 -33.83 0.01 OUTLIER Glycine 0 C--O 1.217 -0.913 0 CA-C-N 114.039 -1.437 . . . . 2.6 113.284 -164.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.791 HG23 HD12 ' A' ' 26' ' ' ILE . 2.7 t -176.85 -162.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 129.82 3.248 . . . . 1.35 103.158 158.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.74 ' H ' HG12 ' A' ' 59' ' ' VAL . 43.9 p -135.39 159.42 41.63 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.193 -1.41 . . . . 2.38 107.193 146.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.84 -24.76 35.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.32 0.581 . . . . 2.21 110.949 -172.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.3 -26.26 66.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.698 -0.683 . . . . 4.01 111.494 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.69 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 8.9 t70 -78.54 -33.86 47.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 3.62 109.72 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.543 ' HA ' ' CE1' ' A' ' 23' ' ' TYR . 26.6 t -63.59 -24.52 67.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.539 -0.755 . . . . 2.91 109.511 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.45 -35.07 58.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.247 -0.888 . . . . 3.46 111.14 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 63' ' ' ASP . 4.0 pp -76.14 -48.14 21.71 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.365 -0.534 . . . . 1.87 110.263 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.52 ' N ' HD12 ' A' ' 66' ' ' LEU . . . 49.49 115.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.516 0.932 . . . . 1.53 113.516 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.6 mt -67.5 156.27 89.06 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.707 -0.679 . . . . 1.55 110.27 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -43.63 -50.18 7.25 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.181 2.587 . . . . 2.74 112.87 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -118.26 166.73 12.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 2.75 109.712 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.2 p -77.64 141.12 39.63 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.563 0.696 . . . . 1.55 110.168 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.713 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 3.2 mm? -64.04 -40.41 53.73 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 114.956 -1.02 . . . . 1.79 112.752 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.605 ' CG ' ' HB2' ' A' ' 28' ' ' PHE . 84.5 Cg_exo -45.86 -35.21 13.45 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.186 1.924 . . . . 1.07 113.071 171.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.44 -39.59 74.28 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.199 0.523 . . . . 2.28 110.146 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.465 HD12 HD13 ' A' ' 72' ' ' LEU . 55.0 mt -66.63 -35.34 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.289 0.566 . . . . 1.38 109.763 175.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 14.3 m-30 -73.96 -16.84 61.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.762 -0.653 . . . . 2.36 110.37 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 12.7 tp10 -78.64 -41.27 31.91 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.59 -0.732 . . . . 2.52 109.919 175.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.08 -49.95 7.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.941 -0.572 . . . . 0.65 112.204 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.56 -49.78 6.12 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.293 0.479 . . . . 0.99 112.293 -173.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 76' ' ' PHE . . . -67.52 -5.98 17.66 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.846 0.684 . . . . 1.56 112.846 -172.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -20.47 64.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.82 0.343 . . . . 2.33 111.211 177.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.74 -154.21 10.46 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.331 -0.708 . . . . 2.59 111.331 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.0 tttp . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.475 -0.774 . . . . 4.41 109.791 175.645 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.767 0.317 . . . . 3.68 110.283 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.38 104.04 4.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.148 -0.478 . . . . 2.42 110.939 -178.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 77' ' ' GLU . 26.7 p-10 -73.8 -18.78 60.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.191 -0.458 . . . . 2.52 110.368 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -71.04 -23.98 62.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.68 -0.691 . . . . 1.89 112.228 -173.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.588 ' HA ' ' HB3' ' B' ' 22' ' ' ALA . 15.6 ptmt -86.48 -20.87 27.44 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 120.901 -0.32 . . . . 1.49 110.658 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.44 -39.93 52.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.503 -0.925 . . . . 2.34 108.503 172.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 5.9 tp -60.9 -42.59 98.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.554 -1.203 . . . . 0.7 109.374 168.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.659 ' HB1' ' C ' ' B' ' 58' ' ' GLY . . . -59.42 -46.21 89.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.084 -0.962 . . . . 0.83 110.864 175.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.545 ' CE1' ' HA ' ' B' ' 64' ' ' SER . 86.6 t80 -51.73 -41.58 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.243 -0.89 . . . . 2.99 110.301 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.722 ' HB2' ' HB2' ' B' ' 72' ' ' LEU . . . -55.33 -45.54 76.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.433 -0.803 . . . . 1.14 111.69 177.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.55 ' O ' ' HB2' ' B' ' 29' ' ' LEU . 46.1 mt -75.46 -45.07 40.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.848 -1.069 . . . . 0.97 111.038 -170.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.785 HD12 HG23 ' B' ' 59' ' ' VAL . 7.0 mt -64.54 -46.82 91.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 C-N-CA 120.317 -0.553 . . . . 0.78 110.266 175.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -60.98 -65.09 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.868 0.692 . . . . 1.58 112.868 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . 0.612 ' HB2' ' CG ' ' B' ' 73' ' ' PRO . 34.9 t80 -58.19 -51.61 69.03 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.051 0.453 . . . . 1.98 111.236 -174.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' B' ' 25' ' ' ILE . 11.1 mp -61.02 -29.96 70.02 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.669 -0.696 . . . . 0.7 111.712 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' B' ' 26' ' ' ILE . 25.5 t-80 -72.46 -42.5 64.92 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.718 0.294 . . . . 1.41 110.616 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.21 -44.25 84.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 1.98 110.334 176.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -37.04 76.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 1.93 110.022 175.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -60.58 -38.86 85.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.561 -0.745 . . . . 1.22 110.693 -178.466 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' B' ' 34' ' ' ARG . 25.0 tpt180 -83.13 -12.53 56.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.322 -0.399 . . . . 3.5 111.084 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -97.9 -28.92 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.725 0.298 . . . . 2.69 111.58 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . 0.447 ' HA2' ' OE1' ' B' ' 43' ' ' GLN . . . 86.93 42.38 6.36 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.724 -0.75 . . . . 0.53 112.123 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.12 -46.46 72.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.131 -0.557 . . . . 0.53 113.293 -175.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.494 ' HG ' ' HB1' ' A' ' 56' ' ' ALA . 4.4 mm? -88.87 -101.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.603 -0.351 . . . . 0.83 111.796 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 21.9 t -140.24 164.95 28.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.441 -0.207 . . . . 1.42 110.441 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . 0.57 ' O ' ' HB2' ' B' ' 43' ' ' GLN . 44.6 m -60.96 -57.27 13.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.206 0.447 . . . . 1.63 112.206 -174.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.97 -34.37 78.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.473 . . . . 2.21 110.403 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.58 ' HB1' ' HA ' ' A' ' 56' ' ' ALA . . . -58.56 -40.23 82.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.624 -0.716 . . . . 0.54 110.796 175.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' B' ' 40' ' ' SER . 18.8 mt-30 -54.07 -67.43 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.704 -0.68 . . . . 1.57 111.384 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.51 -34.24 61.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.96 -0.564 . . . . 2.36 111.91 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 70.5 m -66.87 -33.77 76.34 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.504 0.187 . . . . 1.04 111.504 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.492 ' HB2' HD21 ' B' ' 33' ' ' LEU . 20.4 mt -69.12 -28.9 66.88 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.661 -0.416 . . . . 1.28 110.753 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.3 -39.53 93.29 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.285 -0.635 . . . . 1.75 109.285 175.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.3 t -65.55 -47.98 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.56 -0.745 . . . . 0.49 109.727 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 49' ' ' ALA . . . -57.29 -46.58 83.02 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.299 -0.864 . . . . 0.48 111.373 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 46.7 mt -56.28 -45.63 81.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.887 -0.597 . . . . 0.62 111.609 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -76.68 -37.27 56.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.882 -0.327 . . . . 1.84 111.837 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 45' ' ' SER . 76.6 m -64.63 -38.67 91.8 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.583 0.706 . . . . 0.69 109.483 174.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.44 ' HB3' ' HA3' ' B' ' 58' ' ' GLY . 19.9 mt -57.45 -51.77 68.1 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.4 -0.818 . . . . 0.76 109.366 170.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.897 ' HA ' ' O ' ' B' ' 57' ' ' PHE . 5.8 tt0 -57.11 -22.85 42.88 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.932 0.77 . . . . 1.66 110.737 -177.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.0 m -64.37 -45.26 88.48 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.182 -0.463 . . . . 1.15 110.173 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.568 ' HA ' ' HB1' ' A' ' 42' ' ' ALA . . . -70.76 -70.21 0.32 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.778 -0.823 . . . . 1.14 108.778 171.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.897 ' O ' ' HA ' ' B' ' 54' ' ' GLU . 2.6 p90 -142.29 -39.64 0.36 Allowed 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.964 -0.562 . . . . 2.06 110.202 153.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . 0.659 ' C ' ' HB1' ' B' ' 22' ' ' ALA . . . 34.71 -13.36 0.0 OUTLIER Glycine 0 C--N 1.309 -0.945 0 CA-C-N 112.879 -1.964 . . . . 2.6 115.906 -161.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.785 HG23 HD12 ' B' ' 26' ' ' ILE . 2.7 t -179.7 -164.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.023 1 C-N-CA 132.506 4.323 . . . . 1.35 102.744 151.217 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . 0.701 ' H ' HG12 ' B' ' 59' ' ' VAL . 44.6 p -133.15 160.29 37.67 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.568 -1.253 . . . . 2.38 107.935 142.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.64 -24.96 35.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 118.583 0.629 . . . . 2.21 110.933 -172.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.08 -26.39 66.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.704 -0.68 . . . . 4.0 111.486 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.676 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 9.0 t70 -78.37 -33.82 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.519 0.676 . . . . 3.62 109.739 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.545 ' HA ' ' CE1' ' B' ' 23' ' ' TYR . 29.5 t -63.59 -24.66 67.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 2.92 109.351 174.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -76.2 -34.92 59.28 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.222 -0.899 . . . . 3.46 111.085 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' B' ' 63' ' ' ASP . 4.0 pp -77.7 -44.83 26.67 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.008 -0.677 . . . . 1.87 110.628 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.51 ' N ' HD12 ' B' ' 66' ' ' LEU . . . 47.2 115.71 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.747 1.018 . . . . 1.54 113.747 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.39 156.36 88.63 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.775 -0.648 . . . . 1.56 110.412 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -44.18 -49.4 8.7 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.034 2.49 . . . . 2.75 112.939 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -118.56 166.78 12.3 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.65 -0.5 . . . . 2.76 109.65 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.1 p -77.81 144.02 37.42 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.561 0.696 . . . . 1.55 109.707 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.722 ' HB2' ' HB2' ' B' ' 24' ' ' ALA . 3.3 mm? -66.51 -39.97 29.79 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.882 -1.053 . . . . 1.79 112.7 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.612 ' CG ' ' HB2' ' B' ' 28' ' ' PHE . 83.9 Cg_exo -45.79 -35.24 13.24 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.154 1.903 . . . . 1.06 113.081 171.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.55 -39.49 73.94 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.173 0.511 . . . . 2.27 110.072 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.468 HD12 HD13 ' B' ' 72' ' ' LEU . 54.7 mt -66.73 -35.3 74.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.376 0.608 . . . . 1.37 109.823 175.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 72' ' ' LEU . 14.3 m-30 -73.78 -17.5 61.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.678 -0.692 . . . . 2.37 110.347 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.437 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 12.3 tp10 -78.1 -41.22 35.87 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.542 -0.754 . . . . 2.51 110.018 175.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.25 -50.12 7.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.968 -0.56 . . . . 0.64 112.141 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.16 -50.14 6.0 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.395 0.517 . . . . 0.99 112.395 -173.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' B' ' 76' ' ' PHE . . . -65.2 -9.5 23.97 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.949 0.722 . . . . 1.55 112.949 -173.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -19.76 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.706 0.288 . . . . 2.33 111.251 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.87 -154.53 10.81 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.445 -0.662 . . . . 2.59 111.445 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 66.1 tttp . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.319 -0.848 . . . . 4.4 109.774 175.447 . . . . . . . . 0 0 . 1 stop_ save_