data_2lp0_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 2lp0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.317 0.103 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -61.31 -49.69 76.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.586 0.231 . . . . 0.0 110.442 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -56.05 -45.04 79.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.375 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -64.2 -50.09 69.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 m -61.29 -44.06 97.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.328 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.88 -46.6 89.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.41 -50.25 73.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.829 0.347 . . . . 0.0 110.53 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.75 -38.08 86.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -49.71 67.41 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.224 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 44.3 tttp -65.42 -43.34 90.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -61.47 -44.43 97.11 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.124 0.265 . . . . 0.0 111.541 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.49 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 52.2 t80 -70.21 -39.79 74.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 0.0 111.239 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.47 -39.82 85.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -75.87 -49.37 18.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.922 -179.779 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -124.6 96.01 4.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.23 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.2 mtm -59.27 -23.53 62.46 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -128.81 148.72 50.9 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.417 0.627 . . . . 0.0 110.117 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.537 HD13 ' HE2' ' A' ' 65' ' ' PHE . 6.4 mp -134.8 167.54 20.69 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.346 -178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 p -96.59 170.57 9.11 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.907 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -60.79 -51.46 69.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.998 0.428 . . . . 0.0 111.379 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.81 -42.75 94.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.696 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -62.99 -42.44 99.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.102 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -64.32 -41.36 96.85 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.5 ' HA ' ' HG2' ' A' ' 58' ' ' GLU . 81.9 t80 -64.88 -37.99 89.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.909 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.09 -51.0 62.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.067 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.2 t -56.03 -44.91 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.742 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.22 -42.06 99.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.543 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -61.98 -46.95 87.01 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.163 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.77 -36.4 65.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.568 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.38 3.13 37.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.008 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 57.13 37.95 28.77 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.732 0.777 . . . . 0.0 110.865 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mt -135.79 -174.88 3.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.087 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.7 p -88.19 164.23 15.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.579 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HG2' ' HA ' ' A' ' 48' ' ' TYR . 43.4 mt-10 -64.6 -30.06 71.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -58.66 -35.89 73.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.508 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.469 ' HG3' ' N ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -60.04 -41.58 92.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.019 0.438 . . . . 0.0 110.289 -179.822 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.469 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 29.8 t -76.31 -46.17 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.653 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -56.36 -47.1 79.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.733 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.1 mm -75.52 -33.75 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.076 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.41 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 10.4 t90 -62.42 -42.72 99.65 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.537 ' HE2' HD13 ' A' ' 42' ' ' LEU . 13.7 m-30 -66.17 -39.72 89.95 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.084 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.417 ' OE1' ' HD2' ' A' ' 69' ' ' ARG . 2.1 mp0 -72.06 -37.08 69.72 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.284 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -62.24 -35.63 79.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.772 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 68' ' ' ARG . 12.6 tpt180 -64.51 -44.46 90.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.76 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.417 ' HD2' ' OE1' ' A' ' 66' ' ' GLN . 61.9 mtt85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.56 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 121.074 0.464 . . . . 0.0 112.123 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.05 -42.0 89.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.231 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -56.19 -48.98 75.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.292 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.506 HE22 HD11 ' A' ' 54' ' ' LEU . 63.5 tp60 -61.32 -45.14 95.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.278 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.486 HG21 ' HZ2' ' A' ' 64' ' ' TRP . 12.9 m -62.13 -49.33 76.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.479 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -64.07 -36.17 83.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.704 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' HG2' HD21 ' A' ' 54' ' ' LEU . 6.6 tp10 -66.26 -50.01 65.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.95 -41.03 95.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.286 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.611 ' HG2' ' HH2' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -62.65 -47.1 85.15 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.302 179.319 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -57.51 -39.38 76.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.651 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -70.42 -45.6 65.58 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -57.24 -32.97 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.54 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.78 -41.8 43.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.334 0.588 . . . . 0.0 110.45 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.45 -49.99 42.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.15 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -128.66 97.47 4.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.28 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 39.9 mtt -69.5 -30.4 68.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.507 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -108.59 152.3 24.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.024 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.9 mt -145.34 170.16 16.86 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.244 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.84 171.32 7.6 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.336 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -62.86 -52.74 61.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.789 0.328 . . . . 0.0 111.252 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.96 -42.63 97.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.999 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -62.88 -42.3 99.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.382 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -62.12 -45.26 94.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -65.09 -37.96 89.18 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.425 ' O ' HG21 ' A' ' 53' ' ' VAL . 15.9 tp10 -65.63 -52.55 51.02 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.141 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.6 t -55.21 -43.3 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.184 0.516 . . . . 0.0 109.76 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB3' ' C ' ' A' ' 56' ' ' LEU . . . -63.48 -43.57 96.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.992 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -39.05 82.39 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.861 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 49' ' ' GLU . 33.2 t -59.23 -31.6 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.195 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.506 HD11 HE22 ' A' ' 28' ' ' GLN . 39.1 mt -97.9 -93.53 0.23 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -176.32 43.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 84.3 mt -134.04 -173.85 3.37 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.827 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.532 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -124.53 178.27 5.5 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -60.05 -43.89 95.07 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 121.152 -0.219 . . . . 0.0 110.867 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.2 ttm105 -68.08 -36.47 79.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.462 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.532 ' HB2' ' H ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -64.24 -38.25 90.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.41 -179.315 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.4 t -77.17 -43.03 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 3.6 tmtp? -59.88 -46.37 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.296 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.6 mt -69.46 -37.61 75.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.959 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.611 ' HH2' ' HG2' ' A' ' 33' ' ' GLU . 30.6 t90 -62.02 -49.33 76.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.939 0.4 . . . . 0.0 110.195 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -66.4 -33.86 76.65 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.325 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -73.28 -45.07 57.84 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.217 -179.736 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -64.75 -48.81 73.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.287 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -34.46 75.94 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.829 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 179.797 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.6 HG22 ' H ' ' A' ' 28' ' ' GLN . 14.5 t . . . . . 0 C--O 1.235 0.341 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.487 ' HD3' ' HB ' ' A' ' 29' ' ' THR . 1.4 tppp? -59.65 -35.44 74.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.51 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -56.77 -46.46 81.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 109.813 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.6 ' H ' HG22 ' A' ' 25' ' ' THR . 7.3 tp60 -69.77 -37.32 76.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.489 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.522 ' HA ' ' CZ2' ' A' ' 64' ' ' TRP . 21.5 m -61.34 -50.11 74.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.194 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 26' ' ' LYS . 91.3 mt -58.32 -50.02 75.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.727 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.76 ' HG2' HD23 ' A' ' 54' ' ' LEU . 30.9 tp10 -62.94 -47.38 83.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.537 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.44 -41.67 98.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.622 0.249 . . . . 0.0 111.076 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.97 -39.86 87.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 120.939 0.399 . . . . 0.0 110.048 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -61.24 -47.6 85.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.377 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.95 -40.24 94.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.43 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 70.0 t80 -65.69 -38.7 89.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.243 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.92 -41.54 82.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.167 0.508 . . . . 0.0 110.633 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -70.82 -51.62 25.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.381 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.73 92.39 3.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.658 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 44.5 mtm -57.9 -30.28 65.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.943 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -123.94 147.82 47.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.472 0.653 . . . . 0.0 110.083 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.3 mt -140.22 165.19 28.06 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.832 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 167.39 14.69 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.689 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -47.2 86.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 0.0 110.748 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.05 -48.44 71.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.395 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -62.27 -40.65 96.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.669 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.54 ' NH1' ' HG3' ' A' ' 62' ' ' LYS . 53.9 ttp180 -62.71 -42.24 99.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.229 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.05 -37.14 78.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.029 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 53' ' ' VAL . 4.2 tp10 -62.87 -52.65 62.29 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.5 t -55.72 -44.55 77.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.609 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.68 -44.21 96.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.15 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -65.18 -46.95 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.158 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 49' ' ' GLU . 75.0 t -58.57 -27.64 34.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.76 HD23 ' HG2' ' A' ' 31' ' ' GLU . 79.3 mt -94.13 -91.33 0.2 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.837 0.351 . . . . 0.0 110.487 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -179.44 33.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.329 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.513 ' HB3' ' CB ' ' A' ' 60' ' ' GLN . 56.5 mt -125.86 -173.81 2.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.421 0.629 . . . . 0.0 111.656 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.696 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 41.9 p -121.16 -179.33 4.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.584 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -62.65 -43.36 99.01 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.73 -0.388 . . . . 0.0 109.962 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -68.83 -37.72 79.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.696 ' HB2' ' H ' ' A' ' 57' ' ' THR . 30.4 mm-40 -60.06 -41.15 91.74 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.333 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.1 t -77.34 -40.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.54 ' HG3' ' NH1' ' A' ' 47' ' ' ARG . 20.4 tttt -59.18 -47.61 84.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.088 0.47 . . . . 0.0 110.716 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.4 mm -67.07 -34.41 69.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.442 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.522 ' CZ2' ' HA ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -64.25 -45.74 86.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.216 0.531 . . . . 0.0 109.64 179.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.75 -37.91 82.77 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.522 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -41.28 92.84 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.069 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -66.47 -44.19 83.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.524 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.482 ' HG2' ' HZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -58.74 -35.47 72.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.968 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.426 179.364 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -56.18 -48.49 76.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.411 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -60.75 -44.44 96.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 110.141 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -58.06 -43.68 87.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 7.0 m -66.45 -43.96 84.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.636 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.0 mt -59.01 -42.0 89.04 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.008 0.432 . . . . 0.0 111.125 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.71 -45.08 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD22 HG12 ' A' ' 61' ' ' VAL . 54.8 mt -65.95 -41.12 91.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 6.4 mt-10 -64.75 -36.85 85.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.055 0.455 . . . . 0.0 110.884 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -61.36 -49.57 76.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.637 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' HG3' ' HZ ' ' A' ' 65' ' ' PHE . 7.1 pt-20 -74.33 -33.13 63.07 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.655 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 9.5 t80 -53.75 -54.05 43.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.435 0.636 . . . . 0.0 110.697 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.1 mt -65.88 -36.98 84.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.56 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -62.67 -50.51 70.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.558 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -152.39 105.72 3.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.54 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.509 ' HG2' ' CE1' ' A' ' 36' ' ' PHE . 31.5 mtm -61.42 -30.01 70.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.424 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -117.78 149.29 41.04 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.466 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.623 ' HG ' ' N ' ' A' ' 43' ' ' THR . 25.5 tp -150.35 169.8 20.55 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.286 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.623 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -75.02 156.64 35.99 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.895 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -63.1 -51.03 68.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.652 0.263 . . . . 0.0 110.664 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.44 -45.76 80.63 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 46' ' ' ARG . 8.7 tpp180 -64.92 -36.88 85.81 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.114 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -65.58 -48.14 73.34 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CD1' ' HG2' ' A' ' 58' ' ' GLU . 2.5 m-85 -58.04 -37.24 74.0 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 53' ' ' VAL . 16.7 tt0 -69.88 -49.46 52.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.695 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -55.21 -42.65 67.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.104 0.478 . . . . 0.0 110.219 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.48 98.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.611 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -42.87 79.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.663 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 49' ' ' GLU . 41.7 t -54.35 -33.09 25.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.952 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 43.8 mt -91.37 -92.04 0.15 Allowed 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.257 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.8 t30 177.65 29.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.209 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 83.5 mt -126.59 171.84 10.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.174 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.3 168.88 11.9 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.653 ' HG2' ' CD1' ' A' ' 48' ' ' TYR . 36.9 mp0 -61.78 -38.39 87.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.692 0.282 . . . . 0.0 110.632 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.458 ' HG2' HG12 ' A' ' 63' ' ' ILE . 19.6 ttt180 -65.96 -35.02 79.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.766 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.463 ' HB2' ' HB3' ' A' ' 56' ' ' LEU . 3.2 mt-30 -58.63 -40.52 83.6 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.962 0.41 . . . . 0.0 110.883 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.415 HG12 HD22 ' A' ' 32' ' ' LEU . 19.7 t -76.27 -46.0 33.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.572 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.472 ' HE2' ' HB3' ' A' ' 62' ' ' LYS . 5.2 ttpt -61.12 -46.07 92.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.57 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.458 HG12 ' HG2' ' A' ' 59' ' ' ARG . 29.9 mm -64.31 -34.02 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.539 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.431 ' HZ3' ' HB2' ' A' ' 36' ' ' PHE . 80.7 t90 -64.63 -41.88 95.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 6.1 m-85 -65.14 -42.58 93.69 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.84 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -39.71 84.74 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.868 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -65.62 -52.38 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.285 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.573 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -62.93 -36.06 82.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.092 -179.415 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.961 0.41 . . . . 0.0 110.241 179.378 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -55.3 -45.03 76.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.955 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -59.08 -43.07 91.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.635 0.255 . . . . 0.0 111.129 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.698 ' HG3' HD23 ' A' ' 54' ' ' LEU . 9.9 tt0 -65.24 -52.12 56.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.277 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -57.62 -43.21 84.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.64 -35.25 77.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.645 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.61 -47.01 64.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 3.1 mm? -58.9 -45.65 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.47 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.96 -44.64 95.49 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.078 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -59.67 -44.46 93.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.945 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -66.75 -45.17 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 36.0 t80 -64.52 -35.45 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.337 . . . . 0.0 111.474 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.56 -31.05 63.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.401 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -82.6 -53.26 6.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.469 0.652 . . . . 0.0 110.492 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -133.32 99.84 4.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.365 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.6 mtt -59.43 -24.44 63.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.0 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -129.25 143.13 50.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.425 0.631 . . . . 0.0 110.281 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.441 ' N ' HD23 ' A' ' 42' ' ' LEU . 2.3 mm? -126.8 164.0 22.33 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.833 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.35 170.89 14.08 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.478 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -49.52 77.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.24 -46.4 83.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.214 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -59.29 -44.06 92.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.605 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -64.69 -44.73 89.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.552 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 76.4 t80 -64.09 -36.37 83.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.445 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -69.74 -49.27 54.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.321 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.1 t -59.44 -44.44 92.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.48 93.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.396 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -63.22 -48.32 78.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.387 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 49' ' ' GLU . 95.9 t -59.98 -38.12 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.044 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.698 HD23 ' HG3' ' A' ' 28' ' ' GLN . 18.8 mt -83.84 -2.14 55.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.264 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 t30 60.86 39.84 16.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.969 0.89 . . . . 0.0 109.969 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.571 HD23 ' HG3' ' A' ' 60' ' ' GLN . 64.4 mt -124.37 -177.17 3.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.97 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.0 p -99.96 164.8 11.84 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.572 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -61.85 -35.46 78.35 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -64.14 -35.65 81.47 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.571 ' HG3' HD23 ' A' ' 56' ' ' LEU . 62.0 mm-40 -59.9 -41.41 91.61 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.128 0.49 . . . . 0.0 109.905 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.1 t -76.76 -45.55 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.673 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -57.79 -46.48 84.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.77 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.6 mt -74.02 -33.65 36.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.457 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 66.2 t90 -65.13 -41.83 94.46 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.13 -32.96 74.73 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.329 0.585 . . . . 0.0 110.25 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -72.93 -40.44 65.45 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.868 178.769 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.91 -46.49 89.2 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.541 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -59.55 -31.31 69.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.03 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 10.9 mmm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.664 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.554 HG22 ' H ' ' A' ' 28' ' ' GLN . 7.1 t . . . . . 0 C--O 1.24 0.573 0 CA-C-O 120.98 0.419 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -54.35 -47.13 72.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.599 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -52.66 -48.5 66.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.259 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.554 ' H ' HG22 ' A' ' 25' ' ' THR . 48.5 tt0 -61.26 -47.07 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.271 0.558 . . . . 0.0 110.368 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.3 m -57.82 -47.86 81.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.02 -48.79 80.17 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.47 -47.12 82.71 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.622 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.414 HD22 ' HE1' ' A' ' 65' ' ' PHE . 44.1 mt -63.25 -41.14 99.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.17 -40.28 95.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.045 0.45 . . . . 0.0 110.668 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -68.59 -45.09 72.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.292 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.16 -43.01 99.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.377 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.523 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 7.0 t80 -56.66 -53.63 55.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.98 -30.68 71.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.888 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.69 -50.74 9.52 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.404 0.621 . . . . 0.0 110.215 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -136.55 98.21 3.75 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.792 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -54.61 -33.8 61.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.534 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -124.64 144.15 50.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.641 0.734 . . . . 0.0 110.347 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 42' ' ' LEU . 2.0 mm? -121.31 155.58 34.41 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.42 -1.263 . . . . 0.0 109.56 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.72 171.28 14.21 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.045 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.4 -51.45 69.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.89 -43.36 83.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.642 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -57.74 -46.6 84.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.296 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -64.09 -41.04 97.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.47 -40.92 98.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.354 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.427 ' O ' HG22 ' A' ' 53' ' ' VAL . 24.7 tt0 -66.37 -50.7 62.63 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.11 -43.64 76.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.542 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.39 96.57 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.52 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -60.46 -47.96 83.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.497 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 49' ' ' GLU . 97.2 t -59.91 -32.29 49.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.347 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.437 HD22 ' HG3' ' A' ' 28' ' ' GLN . 94.8 mt -91.22 5.61 48.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.584 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.8 t30 60.22 38.11 20.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.839 0.828 . . . . 0.0 110.292 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.998 ' HB3' ' HG3' ' A' ' 60' ' ' GLN . 90.4 mt -130.62 -171.21 2.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.216 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 p -108.94 174.73 5.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.691 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -65.92 -33.22 75.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 110.318 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -60.12 -38.48 83.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.999 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.998 ' HG3' ' HB3' ' A' ' 56' ' ' LEU . 6.1 mm100 -60.72 -39.96 90.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.553 . . . . 0.0 110.511 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.49 -40.5 34.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.508 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 36.8 tttt -61.43 -47.64 84.82 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.99 -41.68 87.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.461 0.172 . . . . 0.0 111.39 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 46.4 t90 -61.86 -43.83 98.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.966 0.413 . . . . 0.0 110.351 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 8.1 m-85 -72.91 -28.22 62.34 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.359 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -67.37 -41.69 84.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.444 179.311 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.35 -40.16 93.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.227 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 23.4 mmt180 -67.17 -35.62 80.05 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.776 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.149 179.832 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 120.749 0.309 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 47.1 mmtt -62.5 -42.88 99.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.456 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -64.05 -36.88 85.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.848 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.926 ' HG3' HD11 ' A' ' 54' ' ' LEU . 41.4 tt0 -65.51 -40.31 92.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.433 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 7.4 m -67.25 -46.03 74.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.263 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.7 -37.97 89.37 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.441 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -67.15 -49.9 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.0 mt -60.25 -40.2 89.45 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.157 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.654 ' HG2' ' HH2' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -61.0 -48.84 79.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.449 0.643 . . . . 0.0 109.459 178.676 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 34' ' ' LYS . 17.6 ttpp -57.67 -49.89 74.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.183 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.74 -35.79 80.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.177 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -72.13 -39.62 68.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.461 ' HA ' ' HE1' ' A' ' 40' ' ' MET . 21.0 mt -70.49 -35.98 73.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 0.0 110.891 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.14 -45.0 28.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.501 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.01 90.29 3.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.36 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.461 ' HE1' ' HA ' ' A' ' 37' ' ' LEU . 11.7 mmt -55.44 -35.44 65.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.747 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -132.79 154.64 50.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.776 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.421 HD21 ' HG2' ' A' ' 46' ' ' ARG . 75.3 mt -147.02 164.99 31.23 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.681 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.91 173.22 11.39 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.004 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -46.17 89.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.382 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.66 -48.71 71.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.662 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.464 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 12.7 tpt180 -61.92 -41.42 97.91 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -64.54 -42.69 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.474 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 84.6 t80 -61.97 -41.37 97.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.177 179.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.618 ' O ' HG21 ' A' ' 53' ' ' VAL . 9.7 tp10 -68.5 -51.8 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.557 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.5 t -54.87 -41.98 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.952 0.406 . . . . 0.0 110.626 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -40.32 87.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.566 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 17.1 ttt180 -66.3 -45.1 81.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.944 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.618 HG21 ' O ' ' A' ' 49' ' ' GLU . 61.7 t -62.01 -20.55 24.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.169 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.926 HD11 ' HG3' ' A' ' 28' ' ' GLN . 1.3 tp -96.43 -80.39 0.43 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.74 ' N ' ' HG ' ' A' ' 54' ' ' LEU . 59.1 t30 169.75 26.37 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.844 0.458 . . . . 0.0 110.18 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.601 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 81.2 mt -133.3 179.97 5.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 111.237 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.464 ' OG1' ' HG2' ' A' ' 60' ' ' GLN . 80.8 p -109.28 177.61 4.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.745 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 38.8 mt-10 -59.57 -43.62 93.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.072 0.463 . . . . 0.0 110.413 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -65.74 -36.56 83.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.414 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.601 ' HB2' ' HB3' ' A' ' 56' ' ' LEU . 14.9 mm100 -65.77 -39.25 90.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 0.0 110.643 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.7 t -77.74 -37.99 24.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -60.68 -46.01 91.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.922 -178.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.1 mt -71.66 -34.61 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.696 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.654 ' HH2' ' HG2' ' A' ' 33' ' ' GLU . 28.0 t90 -64.09 -46.6 83.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -64.08 -35.39 80.6 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -46.56 51.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.895 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.407 HD21 ' HA ' ' A' ' 67' ' ' ASN . 2.0 t-20 -61.28 -42.13 98.13 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.674 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -54.53 -39.86 68.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.304 0.573 . . . . 0.0 110.009 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.791 179.503 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.579 ' HE3' HD12 ' A' ' 30' ' ' LEU . 44.8 tttp -59.28 -47.48 85.22 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.62 -44.88 93.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.348 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.511 ' HG3' HD23 ' A' ' 54' ' ' LEU . 8.4 tt0 -61.35 -48.53 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.191 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.2 m -57.99 -44.42 87.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.972 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.579 HD12 ' HE3' ' A' ' 26' ' ' LYS . 94.1 mt -61.3 -40.66 94.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.556 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.1 -47.67 76.4 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 3.8 mm? -61.31 -42.82 99.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.053 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.58 -48.04 82.76 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.321 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -55.3 -42.07 73.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.859 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -71.32 -49.92 37.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -62.46 -32.18 73.02 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 mt -71.68 -37.85 70.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.093 0.473 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -46.2 16.64 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.7 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.31 105.28 4.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.9 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.4 mtt -61.21 -11.9 11.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.184 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -135.36 159.39 41.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.156 0.503 . . . . 0.0 109.869 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD22 ' HG2' ' A' ' 46' ' ' ARG . 38.5 mt -133.47 154.1 51.08 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.344 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 1.6 p -79.65 176.44 9.71 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.057 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . 7.3 mmt180 -62.84 -48.69 77.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.926 0.393 . . . . 0.0 110.766 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.3 -47.44 76.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.458 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HG2' HD22 ' A' ' 42' ' ' LEU . 41.5 ttt180 -62.23 -41.01 98.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.394 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.573 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 15.6 ttm180 -61.99 -44.95 95.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.856 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -66.65 -39.79 88.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.977 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 53' ' ' VAL . 6.5 tp10 -67.33 -50.61 59.34 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.524 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.92 -44.44 82.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.6 93.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.667 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.9 -50.12 75.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.069 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 49' ' ' GLU . 92.5 t -57.49 -31.05 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.246 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.511 HD23 ' HG3' ' A' ' 28' ' ' GLN . 55.6 mt -90.67 2.18 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.421 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.84 37.47 18.57 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.96 0.886 . . . . 0.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.411 HD23 ' HG2' ' A' ' 60' ' ' GLN . 69.3 mt -135.77 -179.27 5.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.432 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -100.49 177.37 5.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.573 ' HB3' ' HD2' ' A' ' 47' ' ' ARG . 13.0 mt-10 -64.79 -29.3 70.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.255 -177.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 ttm105 -61.82 -37.26 83.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.073 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.411 ' HG2' HD23 ' A' ' 56' ' ' LEU . 18.4 mp0 -65.62 -37.99 88.16 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.855 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.9 t -77.06 -48.55 24.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.763 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.467 ' HE2' ' HB3' ' A' ' 62' ' ' LYS . 10.6 ttpt -58.34 -47.22 84.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.878 -178.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.2 mt -72.79 -33.54 44.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.651 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.514 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 25.9 t90 -64.64 -40.46 95.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -61.68 -40.31 94.51 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.582 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -36.64 69.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.426 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -61.36 -47.51 85.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.837 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -64.36 -38.73 92.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.081 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.0 tpt85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.193 179.206 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.622 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 68.1 mmtt -58.78 -41.65 87.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.106 0.412 . . . . 0.0 110.553 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -61.3 -44.96 96.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.307 0.575 . . . . 0.0 109.855 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -66.15 -33.57 76.07 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.589 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -67.84 -41.07 83.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 26' ' ' LYS . 85.8 mt -61.93 -41.95 98.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.523 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 13.2 tt0 -66.28 -42.39 88.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.795 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 13.8 mt -60.35 -40.05 89.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.11 178.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.87 -45.33 94.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.811 0.815 . . . . 0.0 109.866 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -58.79 -35.11 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.422 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 5.6 mm-40 -76.91 -40.04 48.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.969 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.596 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 8.1 t80 -56.88 -51.19 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.234 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.86 -42.96 99.95 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.707 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.41 -49.67 72.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.21 91.31 2.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.49 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -69.64 -28.83 66.23 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 110.493 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 131.24 35.42 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.399 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.64 169.88 16.85 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-O 121.149 0.499 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.88 175.94 5.51 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.165 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -47.94 82.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 0.0 110.769 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.58 -50.36 65.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.789 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -57.89 -41.4 82.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.05 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -63.33 -46.12 88.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.234 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -68.55 -34.75 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.592 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.52 -53.87 24.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.163 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.04 -40.28 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -60.12 -49.63 76.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.189 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.418 ' HD2' ' HA ' ' A' ' 52' ' ' ARG . 9.5 tpt180 -66.23 -40.56 90.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.759 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.4 t -54.62 -38.73 43.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.418 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.5 mt -94.42 -91.5 0.2 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.588 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -177.09 34.85 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 60' ' ' GLN . 6.3 mp -124.17 -178.74 4.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.919 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.608 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 71.2 p -112.09 174.03 6.08 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 1.7 mp0 -61.32 -37.51 83.53 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -72.53 -41.86 65.39 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.799 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.609 ' HB3' HD22 ' A' ' 56' ' ' LEU . 36.6 mt-30 -62.15 -38.54 89.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.848 0.356 . . . . 0.0 110.549 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.7 t -77.32 -41.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.048 0.452 . . . . 0.0 110.531 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 11.8 ttpt -60.34 -46.92 88.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.479 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -65.09 -44.68 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.461 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.437 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 85.7 t90 -62.71 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.089 0.471 . . . . 0.0 109.784 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 1.2 m-85 -63.48 -39.86 95.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.17 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -71.15 -38.5 72.22 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.218 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -45.96 88.09 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.482 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.469 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 9.2 mmm180 -61.38 -39.11 89.46 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.332 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.428 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.674 HG22 ' H ' ' A' ' 28' ' ' GLN . 10.3 t . . . . . 0 C--O 1.239 0.527 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -57.48 -40.91 79.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.746 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -58.28 -48.53 80.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 110.934 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.674 ' H ' HG22 ' A' ' 25' ' ' THR . 49.6 tt0 -63.0 -44.51 95.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.273 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.686 ' HA ' ' CH2' ' A' ' 64' ' ' TRP . 21.8 m -60.84 -50.09 74.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.068 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.13 -36.46 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.384 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -63.54 -51.03 67.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.688 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.589 HD11 ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -68.6 -44.82 73.49 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.953 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 29' ' ' THR . 6.8 mt-10 -57.21 -39.23 75.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.648 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.88 -44.55 95.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.43 -33.09 74.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.536 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 57.4 t80 -71.73 -39.35 70.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.36 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.8 mt -68.53 -35.33 77.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.364 0.602 . . . . 0.0 110.199 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -73.08 -51.79 16.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.3 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.35 90.31 2.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.071 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.6 mtt -62.86 -35.39 79.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.399 0.618 . . . . 0.0 109.996 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.65 131.29 42.05 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.334 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.559 HD22 ' HG2' ' A' ' 46' ' ' ARG . 15.3 mt -143.91 176.58 9.16 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.342 0.592 . . . . 0.0 110.633 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.8 157.74 16.75 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.793 178.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -59.16 -46.73 87.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.937 0.399 . . . . 0.0 110.469 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.57 -44.4 97.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.176 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HG2' HD22 ' A' ' 42' ' ' LEU . 26.4 tpt180 -64.21 -41.64 96.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.776 179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -63.97 -41.24 97.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.982 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.403 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 20.1 t80 -65.03 -38.78 92.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 53' ' ' VAL . 39.6 tt0 -64.51 -54.03 38.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.103 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.7 t -55.33 -41.8 63.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.986 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.548 ' HB3' HG21 ' A' ' 61' ' ' VAL . . . -66.12 -42.46 89.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.851 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 52' ' ' ARG . 2.2 ttt180 -65.72 -39.77 91.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.364 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 49' ' ' GLU . 25.4 t -50.4 -39.48 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.744 178.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.6 mt -91.71 -84.53 0.26 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 t30 178.99 18.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.503 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.725 ' HB3' ' HG2' ' A' ' 60' ' ' GLN . 1.2 mm? -106.53 177.45 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.096 0.474 . . . . 0.0 111.405 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.85 178.56 4.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.233 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.56 -44.13 97.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.508 . . . . 0.0 110.723 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -60.48 -39.13 86.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.162 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.725 ' HG2' ' HB3' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -67.7 -37.48 82.32 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.499 -178.438 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 51' ' ' ALA . 54.9 t -75.7 -36.97 35.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.956 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -64.09 -48.43 76.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.344 0.592 . . . . 0.0 110.689 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.6 mm -71.54 -37.05 62.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.842 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.686 ' CH2' ' HA ' ' A' ' 29' ' ' THR . 6.7 t90 -61.08 -43.25 99.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 110.48 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 15.1 m-30 -73.87 -29.44 62.09 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 121.39 0.614 . . . . 0.0 110.567 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -33.89 76.12 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.78 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.32 -39.4 86.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.052 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -59.25 -41.86 89.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.18 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.579 179.786 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.542 HG23 HD12 ' B' ' 185' ' ' LEU . 57.4 m . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -120.12 23.45 10.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.417 0.627 . . . . 0.0 110.06 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 14.2 tppt? -122.94 113.84 19.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.695 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB3' ' HE3' ' A' ' 20' ' ' LYS . 21.7 mmmt 69.47 -86.76 0.03 OUTLIER 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.936 0.772 . . . . 0.0 111.747 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.708 ' HB2' ' HB3' ' B' ' 182' ' ' GLU . 58.4 ttt180 -58.06 144.2 40.8 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.239 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.499 ' SG ' ' HA ' ' B' ' 180' ' ' THR . 21.8 m -67.34 140.58 95.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.73 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -68.13 110.32 2.18 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.873 2.382 . . . . 0.0 112.396 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.69 140.59 53.59 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.553 0.692 . . . . 0.0 110.725 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -75.14 171.9 13.33 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -61.31 -49.69 76.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.586 0.231 . . . . 0.0 110.442 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -56.05 -45.04 79.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.375 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -64.2 -50.09 69.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 m -61.29 -44.06 97.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.328 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.88 -46.6 89.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.41 -50.25 73.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.829 0.347 . . . . 0.0 110.53 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.75 -38.08 86.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -49.71 67.41 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.224 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 44.3 tttp -65.42 -43.34 90.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -61.47 -44.43 97.11 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.124 0.265 . . . . 0.0 111.541 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.49 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 52.2 t80 -70.21 -39.79 74.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 0.0 111.239 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.47 -39.82 85.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -75.87 -49.37 18.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.922 -179.779 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -124.6 96.01 4.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.23 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.2 mtm -59.27 -23.53 62.46 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -128.81 148.72 50.9 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.417 0.627 . . . . 0.0 110.117 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.537 HD13 ' HE2' ' A' ' 65' ' ' PHE . 6.4 mp -134.8 167.54 20.69 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.346 -178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 p -96.59 170.57 9.11 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.907 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -60.79 -51.46 69.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.998 0.428 . . . . 0.0 111.379 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.81 -42.75 94.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.696 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -62.99 -42.44 99.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.102 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -64.32 -41.36 96.85 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.5 ' HA ' ' HG2' ' A' ' 58' ' ' GLU . 81.9 t80 -64.88 -37.99 89.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.909 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.09 -51.0 62.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.067 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.2 t -56.03 -44.91 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.742 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.22 -42.06 99.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.543 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -61.98 -46.95 87.01 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.163 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.77 -36.4 65.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.568 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.38 3.13 37.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.008 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 57.13 37.95 28.77 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.732 0.777 . . . . 0.0 110.865 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mt -135.79 -174.88 3.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.087 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.7 p -88.19 164.23 15.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.579 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HG2' ' HA ' ' A' ' 48' ' ' TYR . 43.4 mt-10 -64.6 -30.06 71.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -58.66 -35.89 73.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.508 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.485 ' HA ' HG13 ' B' ' 181' ' ' VAL . 0.0 OUTLIER -60.04 -41.58 92.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.019 0.438 . . . . 0.0 110.289 -179.822 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.469 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 29.8 t -76.31 -46.17 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.653 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -56.36 -47.1 79.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.733 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.1 mm -75.52 -33.75 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.076 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.41 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 10.4 t90 -62.42 -42.72 99.65 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.537 ' HE2' HD13 ' A' ' 42' ' ' LEU . 13.7 m-30 -66.17 -39.72 89.95 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.084 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.417 ' OE1' ' HD2' ' A' ' 69' ' ' ARG . 2.1 mp0 -72.06 -37.08 69.72 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.284 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.463 ' O ' ' HG2' ' A' ' 70' ' ' MET . 1.9 t-20 -62.24 -35.63 79.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.772 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 68' ' ' ARG . 12.6 tpt180 -64.51 -44.46 90.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.76 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.417 ' HD2' ' OE1' ' A' ' 66' ' ' GLN . 61.9 mtt85 -65.06 -46.16 82.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.56 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 67' ' ' ASN . 11.4 ptm -64.26 -30.45 71.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.685 ' HA ' HG13 ' B' ' 186' ' ' VAL . 31.7 ttmt -72.16 -30.66 65.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.209 0.528 . . . . 0.0 110.27 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.8 ttt -75.9 -37.89 58.34 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.751 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -79.33 -52.05 8.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.549 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HB2' HG12 ' B' ' 186' ' ' VAL . 28.1 mtpp -77.57 -68.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 -178.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 33.8 ttm -84.12 53.86 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.275 0.559 . . . . 0.0 110.213 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.228 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.51 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.844 0.354 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -152.78 162.01 41.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.785 0.326 . . . . 0.0 110.709 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -125.04 26.42 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.001 0.429 . . . . 0.0 110.174 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -81.2 -80.68 0.14 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.44 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' B' ' 176' ' ' SER . 56.4 m-20 36.79 -107.37 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 124.207 0.942 . . . . 0.0 110.912 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' SER . . . . . 0.883 ' HB3' ' HB2' ' B' ' 179' ' ' GLU . 23.2 t 165.78 149.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.095 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.21 -13.19 61.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.461 0.648 . . . . 0.0 111.11 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.05 11.03 10.19 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.739 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . 0.883 ' HB2' ' HB3' ' B' ' 176' ' ' SER . 4.2 tp10 -81.92 -36.0 28.54 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 122.112 0.958 . . . . 0.0 109.135 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' THR . . . . . 0.499 ' HA ' ' SG ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -84.82 -25.94 27.79 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.549 179.014 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.485 HG13 ' HA ' ' A' ' 60' ' ' GLN . 5.2 t -133.45 85.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' GLU . . . . . 0.708 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -91.54 149.2 21.78 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.58 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -129.3 51.13 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.136 0.493 . . . . 0.0 110.691 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 23.2 m -144.17 12.19 1.58 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.542 HD12 HG23 ' A' ' 17' ' ' THR . 45.5 tp -62.74 -25.98 68.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 186' ' ' VAL . . . . . 0.685 HG13 ' HA ' ' A' ' 71' ' ' LYS . 14.2 t -110.16 81.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.59 -18.67 18.8 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.524 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.12 100.89 4.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 1.1 m -83.38 -60.6 2.09 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.983 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.348 -0.834 . . . . 0.0 111.723 -179.783 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 120.543 0.211 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 70.81 129.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.027 0.83 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.837 ' HD2' ' HG2' ' B' ' 182' ' ' GLU . 0.1 OUTLIER -68.75 92.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.76 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' C ' ' HB2' ' B' ' 182' ' ' GLU . 9.7 ptpp? -129.66 171.13 12.96 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.118 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HD2' ' OH ' ' A' ' 24' ' ' TYR . 4.9 tpp180 -97.37 125.93 42.29 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -60.28 137.75 91.74 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.698 0.285 . . . . 0.0 110.35 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 22' ' ' CYS . 6.2 Cg_exo -80.06 67.06 8.74 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.876 2.384 . . . . 0.0 111.986 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.446 ' OH ' ' HD2' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -79.62 140.0 37.26 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 121.366 0.603 . . . . 0.0 109.603 179.267 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.32 167.99 20.11 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.123 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.05 -42.0 89.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.231 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -56.19 -48.98 75.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.292 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.506 HE22 HD11 ' A' ' 54' ' ' LEU . 63.5 tp60 -61.32 -45.14 95.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.278 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.486 HG21 ' HZ2' ' A' ' 64' ' ' TRP . 12.9 m -62.13 -49.33 76.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.479 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -64.07 -36.17 83.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.704 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' HG2' HD21 ' A' ' 54' ' ' LEU . 6.6 tp10 -66.26 -50.01 65.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.95 -41.03 95.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.286 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.611 ' HG2' ' HH2' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -62.65 -47.1 85.15 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.302 179.319 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -57.51 -39.38 76.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.651 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -70.42 -45.6 65.58 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -57.24 -32.97 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.54 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.78 -41.8 43.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.334 0.588 . . . . 0.0 110.45 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.45 -49.99 42.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.15 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -128.66 97.47 4.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.28 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 39.9 mtt -69.5 -30.4 68.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.507 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -108.59 152.3 24.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.024 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.9 mt -145.34 170.16 16.86 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.244 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.84 171.32 7.6 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.336 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -62.86 -52.74 61.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.789 0.328 . . . . 0.0 111.252 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.96 -42.63 97.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.999 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -62.88 -42.3 99.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.382 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -62.12 -45.26 94.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -65.09 -37.96 89.18 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.425 ' O ' HG21 ' A' ' 53' ' ' VAL . 15.9 tp10 -65.63 -52.55 51.02 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.141 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.6 t -55.21 -43.3 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.184 0.516 . . . . 0.0 109.76 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB3' ' C ' ' A' ' 56' ' ' LEU . . . -63.48 -43.57 96.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.992 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -39.05 82.39 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.861 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 49' ' ' GLU . 33.2 t -59.23 -31.6 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.195 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.506 HD11 HE22 ' A' ' 28' ' ' GLN . 39.1 mt -97.9 -93.53 0.23 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -176.32 43.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 84.3 mt -134.04 -173.85 3.37 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.827 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.532 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -124.53 178.27 5.5 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -60.05 -43.89 95.07 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 121.152 -0.219 . . . . 0.0 110.867 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.2 ttm105 -68.08 -36.47 79.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.462 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.532 ' HB2' ' H ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -64.24 -38.25 90.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.41 -179.315 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.4 t -77.17 -43.03 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 3.6 tmtp? -59.88 -46.37 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.296 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.6 mt -69.46 -37.61 75.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.959 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.611 ' HH2' ' HG2' ' A' ' 33' ' ' GLU . 30.6 t90 -62.02 -49.33 76.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.939 0.4 . . . . 0.0 110.195 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -66.4 -33.86 76.65 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.325 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -73.28 -45.07 57.84 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.217 -179.736 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.55 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.5 t-20 -64.75 -48.81 73.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.287 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -34.46 75.94 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.829 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -61.36 -56.87 15.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 1.5 ptm -67.55 -33.37 74.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.904 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.834 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -58.96 -45.4 90.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.491 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.562 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 8.6 ttt -61.45 -45.25 95.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -64.23 -48.27 76.46 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.799 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.834 ' HE3' ' HA ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -75.49 -18.29 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.503 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.433 ' HB3' ' NZ ' ' A' ' 74' ' ' LYS . 20.5 ttt -161.23 92.0 0.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.141 0.496 . . . . 0.0 110.167 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.562 ' HB2' ' O ' ' A' ' 72' ' ' MET . 52.3 t30 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.212 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.737 0.303 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -92.57 24.19 3.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.117 0.484 . . . . 0.0 110.303 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -80.74 80.57 7.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.355 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 174' ' ' PHE . . . . . 0.404 ' CD2' ' HB2' ' B' ' 176' ' ' SER . 0.9 OUTLIER -145.27 -63.13 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.53 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 30.1 t70 60.82 30.2 19.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.516 0.674 . . . . 0.0 110.967 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 176' ' ' SER . . . . . 0.404 ' HB2' ' CD2' ' B' ' 174' ' ' PHE . 11.8 m -131.33 56.02 1.83 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.939 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . 0.655 ' HG3' ' HG2' ' B' ' 178' ' ' GLU . 12.9 pt-20 -102.18 -17.65 15.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.493 0.663 . . . . 0.0 110.194 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . 0.655 ' HG2' ' HG3' ' B' ' 177' ' ' GLU . 22.9 mm-40 -129.85 25.93 5.28 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.635 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -175.81 3.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.899 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 180' ' ' THR . . . . . 0.523 HG23 ' HA ' ' A' ' 19' ' ' LYS . 2.4 m -97.31 136.14 38.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.025 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 60' ' ' GLN . 1.7 t -112.08 90.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 182' ' ' GLU . . . . . 0.837 ' HG2' ' HD2' ' A' ' 19' ' ' LYS . 1.4 tm-20 -59.06 112.96 1.88 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.055 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.77 74.8 9.71 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.51 0.672 . . . . 0.0 109.682 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.62 125.81 29.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.121 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 8.9 tp -65.54 -63.25 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.153 0.501 . . . . 0.0 109.856 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 186' ' ' VAL . . . . . 0.651 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 21.2 t -129.98 88.45 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.314 0.578 . . . . 0.0 109.601 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -26.66 57.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.817 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 35.4 t70 64.78 30.06 12.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.692 0.758 . . . . 0.0 110.085 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 4.3 m -103.81 -52.02 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.163 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.505 -179.554 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' HB2' ' A' ' 20' ' ' LYS . 9.2 t . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 120.8 0.334 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -79.72 159.08 26.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.63 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? 72.83 -45.7 0.63 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.699 0.8 . . . . 0.0 111.501 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HB3' ' H ' ' A' ' 21' ' ' ARG . 5.9 mptp? -77.12 -149.73 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.824 0.345 . . . . 0.0 111.039 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.517 ' H ' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -44.48 134.57 5.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.649 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 38.6 m -61.71 140.09 95.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 22' ' ' CYS . 37.9 Cg_exo -60.29 127.59 23.5 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.839 2.359 . . . . 0.0 112.222 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -100.59 150.27 22.88 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-O 120.913 0.387 . . . . 0.0 109.974 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.6 HG22 ' H ' ' A' ' 28' ' ' GLN . 14.5 t -75.64 157.5 33.65 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.087 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.487 ' HD3' ' HB ' ' A' ' 29' ' ' THR . 1.4 tppp? -59.65 -35.44 74.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.51 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -56.77 -46.46 81.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 109.813 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.6 ' H ' HG22 ' A' ' 25' ' ' THR . 7.3 tp60 -69.77 -37.32 76.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.489 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.522 ' HA ' ' CZ2' ' A' ' 64' ' ' TRP . 21.5 m -61.34 -50.11 74.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.194 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 26' ' ' LYS . 91.3 mt -58.32 -50.02 75.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.727 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.76 ' HG2' HD23 ' A' ' 54' ' ' LEU . 30.9 tp10 -62.94 -47.38 83.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.537 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.44 -41.67 98.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.622 0.249 . . . . 0.0 111.076 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.97 -39.86 87.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 120.939 0.399 . . . . 0.0 110.048 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -61.24 -47.6 85.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.377 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.95 -40.24 94.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.43 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 70.0 t80 -65.69 -38.7 89.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.243 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.92 -41.54 82.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.167 0.508 . . . . 0.0 110.633 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -70.82 -51.62 25.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.381 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.73 92.39 3.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.658 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 44.5 mtm -57.9 -30.28 65.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.943 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -123.94 147.82 47.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.472 0.653 . . . . 0.0 110.083 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.3 mt -140.22 165.19 28.06 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.832 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 167.39 14.69 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.689 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -47.2 86.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 0.0 110.748 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.05 -48.44 71.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.395 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -62.27 -40.65 96.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.669 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.54 ' NH1' ' HG3' ' A' ' 62' ' ' LYS . 53.9 ttp180 -62.71 -42.24 99.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.229 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.05 -37.14 78.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.029 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 53' ' ' VAL . 4.2 tp10 -62.87 -52.65 62.29 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.5 t -55.72 -44.55 77.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.609 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.68 -44.21 96.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.15 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -65.18 -46.95 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.158 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 49' ' ' GLU . 75.0 t -58.57 -27.64 34.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.76 HD23 ' HG2' ' A' ' 31' ' ' GLU . 79.3 mt -94.13 -91.33 0.2 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.837 0.351 . . . . 0.0 110.487 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -179.44 33.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.329 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.513 ' HB3' ' CB ' ' A' ' 60' ' ' GLN . 56.5 mt -125.86 -173.81 2.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.421 0.629 . . . . 0.0 111.656 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.696 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 41.9 p -121.16 -179.33 4.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.584 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -62.65 -43.36 99.01 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.73 -0.388 . . . . 0.0 109.962 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -68.83 -37.72 79.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.696 ' HB2' ' H ' ' A' ' 57' ' ' THR . 30.4 mm-40 -60.06 -41.15 91.74 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.333 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.1 t -77.34 -40.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.54 ' HG3' ' NH1' ' A' ' 47' ' ' ARG . 20.4 tttt -59.18 -47.61 84.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.088 0.47 . . . . 0.0 110.716 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.526 HD11 ' HB3' ' B' ' 183' ' ' ASP . 46.4 mm -67.07 -34.41 69.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.442 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.522 ' CZ2' ' HA ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -64.25 -45.74 86.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.216 0.531 . . . . 0.0 109.64 179.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.75 -37.91 82.77 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.522 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -41.28 92.84 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.069 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.414 ' OD1' ' HB3' ' B' ' 185' ' ' LEU . 2.8 m-20 -66.47 -44.19 83.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.524 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.482 ' HG2' ' HZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -58.74 -35.47 72.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.968 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.411 ' HG2' ' HE2' ' A' ' 73' ' ' LYS . 52.3 ttp180 -65.45 -43.17 91.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.426 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.616 ' HA ' ' HD2' ' A' ' 73' ' ' LYS . 43.0 mtm -71.73 -34.38 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.093 0.473 . . . . 0.0 110.315 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HG2' ' HG3' ' A' ' 75' ' ' MET . 7.0 tmtm? -64.82 -26.6 68.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.157 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -22.1 57.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.369 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.616 ' HD2' ' HA ' ' A' ' 70' ' ' MET . 41.3 mttm -88.91 -62.7 1.42 Allowed 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.64 ' HB2' ' HB3' ' B' ' 188' ' ' ASP . 0.1 OUTLIER -87.82 -73.21 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -176.644 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.583 ' HG2' HG13 ' B' ' 186' ' ' VAL . 17.5 ptp -80.87 46.45 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.524 0.678 . . . . 0.0 111.351 -178.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.5 t30 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.218 179.62 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.749 0.309 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -105.64 24.46 12.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.2 0.524 . . . . 0.0 110.199 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . 0.52 ' HA ' ' HB2' ' B' ' 177' ' ' GLU . 17.9 mp0 -90.19 92.33 8.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.782 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -108.35 -60.96 1.66 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.327 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -156.23 9.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.362 0.601 . . . . 0.0 110.989 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 6.7 m -142.29 28.13 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.008 0.432 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . 0.52 ' HB2' ' HA ' ' B' ' 173' ' ' GLU . 0.0 OUTLIER -138.13 22.18 2.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 -179.798 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.09 24.21 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . 0.594 ' HG3' ' H ' ' B' ' 180' ' ' THR . 3.8 tp10 -81.4 -177.61 6.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.05 0.452 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 180' ' ' THR . . . . . 0.594 ' H ' ' HG3' ' B' ' 179' ' ' GLU . 0.6 OUTLIER -98.34 -50.02 4.47 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 122.335 1.064 . . . . 0.0 108.96 178.527 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 60' ' ' GLN . 2.3 t -113.08 73.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 113.458 -1.701 . . . . 0.0 107.873 178.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 182' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -61.66 127.66 32.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.48 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . 0.526 ' HB3' HD11 ' A' ' 63' ' ' ILE . 1.6 p-10 -84.47 -8.86 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.932 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 184' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 4.6 m -81.59 49.8 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.102 0.477 . . . . 0.0 110.141 178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.414 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . 1.6 tt -95.03 -24.33 16.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 186' ' ' VAL . . . . . 0.583 HG13 ' HG2' ' A' ' 75' ' ' MET . 5.9 t -94.02 50.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.608 0.718 . . . . 0.0 109.837 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.2 74.54 7.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.086 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.64 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . 11.7 t70 -101.85 29.23 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.358 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 1.2 p -174.28 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.36 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.245 0.858 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.031 -179.844 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 120.789 0.328 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -123.29 -40.83 2.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.751 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -137.87 -7.73 1.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.315 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 67.62 171.25 0.27 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.504 0.669 . . . . 0.0 111.788 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.516 ' HB3' ' HG ' ' B' ' 185' ' ' LEU . 4.3 tpt180 -68.7 135.49 51.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.743 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.577 ' HB3' HG23 ' B' ' 180' ' ' THR . 1.2 p -65.66 139.2 96.97 Favored Pre-proline 0 C--O 1.237 0.407 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.701 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 22' ' ' CYS . 23.9 Cg_exo -64.73 125.36 14.71 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 123.024 2.483 . . . . 0.0 112.419 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -101.1 140.39 35.46 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.686 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.02 157.05 38.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.273 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -56.18 -48.49 76.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.411 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -60.75 -44.44 96.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 110.141 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -58.06 -43.68 87.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 7.0 m -66.45 -43.96 84.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.636 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.0 mt -59.01 -42.0 89.04 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.008 0.432 . . . . 0.0 111.125 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.71 -45.08 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD22 HG12 ' A' ' 61' ' ' VAL . 54.8 mt -65.95 -41.12 91.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 6.4 mt-10 -64.75 -36.85 85.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.055 0.455 . . . . 0.0 110.884 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -61.36 -49.57 76.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.637 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' HG3' ' HZ ' ' A' ' 65' ' ' PHE . 7.1 pt-20 -74.33 -33.13 63.07 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.655 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 9.5 t80 -53.75 -54.05 43.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.435 0.636 . . . . 0.0 110.697 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.1 mt -65.88 -36.98 84.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.56 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -62.67 -50.51 70.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.558 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -152.39 105.72 3.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.54 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.509 ' HG2' ' CE1' ' A' ' 36' ' ' PHE . 31.5 mtm -61.42 -30.01 70.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.424 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -117.78 149.29 41.04 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.466 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.623 ' HG ' ' N ' ' A' ' 43' ' ' THR . 25.5 tp -150.35 169.8 20.55 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.286 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.623 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -75.02 156.64 35.99 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.895 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -63.1 -51.03 68.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.652 0.263 . . . . 0.0 110.664 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.44 -45.76 80.63 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 46' ' ' ARG . 8.7 tpp180 -64.92 -36.88 85.81 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.114 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -65.58 -48.14 73.34 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.653 ' CD1' ' HG2' ' A' ' 58' ' ' GLU . 2.5 m-85 -58.04 -37.24 74.0 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 53' ' ' VAL . 16.7 tt0 -69.88 -49.46 52.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.695 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -55.21 -42.65 67.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.104 0.478 . . . . 0.0 110.219 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.48 98.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.611 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -42.87 79.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.663 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 49' ' ' GLU . 41.7 t -54.35 -33.09 25.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.952 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 43.8 mt -91.37 -92.04 0.15 Allowed 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.257 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.8 t30 177.65 29.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.209 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 83.5 mt -126.59 171.84 10.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.174 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.3 168.88 11.9 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.653 ' HG2' ' CD1' ' A' ' 48' ' ' TYR . 36.9 mp0 -61.78 -38.39 87.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.692 0.282 . . . . 0.0 110.632 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.458 ' HG2' HG12 ' A' ' 63' ' ' ILE . 19.6 ttt180 -65.96 -35.02 79.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.766 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.559 ' HA ' HG11 ' B' ' 181' ' ' VAL . 3.2 mt-30 -58.63 -40.52 83.6 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.962 0.41 . . . . 0.0 110.883 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.415 HG12 HD22 ' A' ' 32' ' ' LEU . 19.7 t -76.27 -46.0 33.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.572 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.472 ' HE2' ' HB3' ' A' ' 62' ' ' LYS . 5.2 ttpt -61.12 -46.07 92.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.57 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.458 HG12 ' HG2' ' A' ' 59' ' ' ARG . 29.9 mm -64.31 -34.02 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.539 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.431 ' HZ3' ' HB2' ' A' ' 36' ' ' PHE . 80.7 t90 -64.63 -41.88 95.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 6.1 m-85 -65.14 -42.58 93.69 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.84 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -39.71 84.74 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.868 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.727 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 6.8 t-20 -65.62 -52.38 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.285 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.573 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -62.93 -36.06 82.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.092 -179.415 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.63 -41.15 98.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.961 0.41 . . . . 0.0 110.241 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.727 ' HE3' ' HA ' ' A' ' 67' ' ' ASN . 2.5 ptp -74.2 -29.68 61.86 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.839 ' HA ' HG13 ' B' ' 186' ' ' VAL . 53.7 tttm -63.23 -36.83 84.94 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.491 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.6 ttp -53.93 -51.92 62.24 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.826 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -87.75 -39.95 14.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.4 -70.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.01 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.781 ' HG2' ' HA ' ' B' ' 188' ' ' ASP . 66.8 mtm -83.09 57.6 4.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.568 0.699 . . . . 0.0 109.337 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--O 1.244 0.803 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.341 -179.307 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 65.1 t30 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -122.78 45.92 2.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.685 0.279 . . . . 0.0 111.354 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.62 -9.22 59.05 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.18 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -74.63 -34.47 62.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.082 0.467 . . . . 0.0 109.967 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.87 54.18 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 176' ' ' SER . . . . . 0.427 ' HB2' ' NH1' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -77.5 59.1 1.85 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.933 -178.714 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -84.77 -11.25 56.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.13 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -126.62 21.6 7.06 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.5 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.66 -177.26 2.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.135 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 180' ' ' THR . . . . . 0.577 HG23 ' HB3' ' A' ' 22' ' ' CYS . 1.7 m -90.06 -19.0 24.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.784 0.802 . . . . 0.0 109.685 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 60' ' ' GLN . 3.0 t -100.1 67.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.41 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 182' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.84 146.4 28.94 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.291 0.567 . . . . 0.0 111.232 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.03 -18.73 60.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.908 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 15.9 m -79.23 116.95 19.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.19 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.599 ' HB3' HD22 ' A' ' 67' ' ' ASN . 1.2 tm? -166.08 -33.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.945 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 186' ' ' VAL . . . . . 0.839 HG13 ' HA ' ' A' ' 71' ' ' LYS . 38.3 t -100.57 69.23 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.365 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . 0.455 ' H ' ' HG2' ' B' ' 187' ' ' GLU . 4.7 pt-20 -81.54 -0.77 43.61 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.223 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.781 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 44.1 t0 62.99 64.32 0.87 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.219 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 36.1 m -142.48 -4.54 0.98 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.928 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.708 -179.7 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.531 HG21 ' HB2' ' A' ' 20' ' ' LYS . 1.4 m . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.603 0.24 . . . . 0.0 111.616 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER 56.52 46.42 20.59 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.011 -179.121 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 56.7 tttt 73.16 -68.07 0.24 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.845 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.531 ' HB2' HG21 ' A' ' 17' ' ' THR . 1.7 tptp 57.16 -155.15 0.33 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.441 0.463 . . . . 0.0 110.846 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' B' ' 183' ' ' ASP . 0.2 OUTLIER -66.43 129.46 39.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.03 138.39 35.45 Favored Pre-proline 0 C--N 1.328 -0.356 0 O-C-N 123.436 0.46 . . . . 0.0 110.953 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -76.32 78.04 3.37 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.555 2.17 . . . . 0.0 112.897 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.429 ' CE2' ' HD2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -68.66 126.17 28.84 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.033 178.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.2 p -73.81 166.87 22.54 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.138 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -55.3 -45.03 76.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.955 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -59.08 -43.07 91.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.635 0.255 . . . . 0.0 111.129 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.698 ' HG3' HD23 ' A' ' 54' ' ' LEU . 9.9 tt0 -65.24 -52.12 56.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.277 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -57.62 -43.21 84.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.64 -35.25 77.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.645 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.61 -47.01 64.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 3.1 mm? -58.9 -45.65 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.47 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.96 -44.64 95.49 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.078 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -59.67 -44.46 93.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.945 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -66.75 -45.17 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 36.0 t80 -64.52 -35.45 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.337 . . . . 0.0 111.474 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.56 -31.05 63.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.401 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -82.6 -53.26 6.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.469 0.652 . . . . 0.0 110.492 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -133.32 99.84 4.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.365 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.6 mtt -59.43 -24.44 63.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.0 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -129.25 143.13 50.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.425 0.631 . . . . 0.0 110.281 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 42' ' ' LEU . 2.3 mm? -126.8 164.0 22.33 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.833 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.35 170.89 14.08 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.478 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -49.52 77.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.24 -46.4 83.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.214 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -59.29 -44.06 92.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.605 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -64.69 -44.73 89.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.552 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 76.4 t80 -64.09 -36.37 83.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.445 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -69.74 -49.27 54.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.321 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.1 t -59.44 -44.44 92.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.48 93.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.396 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -63.22 -48.32 78.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.387 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 49' ' ' GLU . 95.9 t -59.98 -38.12 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.044 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.698 HD23 ' HG3' ' A' ' 28' ' ' GLN . 18.8 mt -83.84 -2.14 55.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.264 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 t30 60.86 39.84 16.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.969 0.89 . . . . 0.0 109.969 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.571 HD23 ' HG3' ' A' ' 60' ' ' GLN . 64.4 mt -124.37 -177.17 3.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.97 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.477 HG21 ' HA ' ' B' ' 179' ' ' GLU . 3.0 p -99.96 164.8 11.84 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.572 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -61.85 -35.46 78.35 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -64.14 -35.65 81.47 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.571 ' HG3' HD23 ' A' ' 56' ' ' LEU . 62.0 mm-40 -59.9 -41.41 91.61 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.128 0.49 . . . . 0.0 109.905 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.1 t -76.76 -45.55 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.673 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -57.79 -46.48 84.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.77 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.708 HD11 ' HB ' ' B' ' 181' ' ' VAL . 22.6 mt -74.02 -33.65 36.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.457 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 66.2 t90 -65.13 -41.83 94.46 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.13 -32.96 74.73 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.329 0.585 . . . . 0.0 110.25 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -72.93 -40.44 65.45 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.868 178.769 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.91 -46.49 89.2 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.541 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -59.55 -31.31 69.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.03 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 10.9 mmm180 -64.67 -50.22 67.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.664 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -72.66 -30.02 63.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.134 0.492 . . . . 0.0 110.265 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.65 ' HE3' ' HA ' ' B' ' 186' ' ' VAL . 8.1 mttp -63.59 -32.52 74.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.823 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.3 ttm -58.57 -41.85 86.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.319 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -71.03 -40.84 71.51 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.977 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -78.53 -58.01 3.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.835 0.35 . . . . 0.0 111.386 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 17.8 ttt -95.36 62.13 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.535 0.683 . . . . 0.0 109.963 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.646 -179.866 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 171' ' ' ASN . . . . . 0.409 ' HB3' ' H ' ' B' ' 172' ' ' GLN . 71.9 m-20 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 172' ' ' GLN . . . . . 0.409 ' H ' ' HB3' ' B' ' 171' ' ' ASN . 50.8 mt-30 -88.51 70.1 8.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -96.48 -3.85 42.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.957 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -121.31 -8.47 9.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.231 0.539 . . . . 0.0 110.338 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -133.53 135.24 44.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.964 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 176' ' ' SER . . . . . 0.558 ' CB ' ' HB3' ' B' ' 179' ' ' GLU . 2.1 m -132.78 -176.78 4.22 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.829 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -91.24 -72.44 0.58 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.403 0.621 . . . . 0.0 110.422 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.63 -0.38 10.8 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.65 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . 0.558 ' HB3' ' CB ' ' B' ' 176' ' ' SER . 40.6 tt0 -66.41 -36.88 83.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.605 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 180' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.01 132.95 34.69 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.846 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.708 ' HB ' HD11 ' A' ' 63' ' ' ILE . 3.2 t -116.01 97.16 5.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 182' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -53.75 -51.87 62.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.865 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . 0.559 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 6.0 t70 65.52 134.59 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.324 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.54 -165.93 1.37 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.637 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.458 ' HG ' HG23 ' B' ' 186' ' ' VAL . 40.0 tp -101.5 -86.26 0.41 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 186' ' ' VAL . . . . . 0.65 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 61.2 t -140.97 92.24 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . 0.449 ' HA ' ' CD ' ' B' ' 190' ' ' GLU . 2.1 pm0 -74.56 80.07 1.97 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.341 0.591 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.437 ' C ' ' HG ' ' B' ' 189' ' ' SER . 1.6 p-10 -130.58 21.2 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.044 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 189' ' ' SER . . . . . 0.437 ' HG ' ' C ' ' B' ' 188' ' ' ASP . 0.8 OUTLIER -146.6 -37.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.092 179.369 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . 0.449 ' CD ' ' HA ' ' B' ' 187' ' ' GLU . 1.6 pm0 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.461 -0.781 . . . . 0.0 110.606 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.926 ' HB ' ' HB3' ' B' ' 183' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.969 0.414 . . . . 0.0 110.702 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.534 ' HA ' ' HG2' ' B' ' 182' ' ' GLU . 43.3 mtm180 -75.28 92.09 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' HB3' ' HG2' ' B' ' 179' ' ' GLU . 1.6 tppp? -131.91 -73.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.948 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HD3' ' HG2' ' B' ' 177' ' ' GLU . 22.7 tptm -162.71 133.8 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.736 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.648 ' HG2' ' HE2' ' A' ' 24' ' ' TYR . 6.7 ttp180 -108.0 136.94 46.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.3 p -71.74 150.57 93.26 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 120.714 0.292 . . . . 0.0 110.554 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.47 99.81 0.74 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.711 2.274 . . . . 0.0 113.582 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.648 ' HE2' ' HG2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -87.67 136.21 33.05 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.049 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.554 HG22 ' H ' ' A' ' 28' ' ' GLN . 7.1 t -71.78 161.59 30.74 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.096 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -54.35 -47.13 72.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.599 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -52.66 -48.5 66.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.259 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.554 ' H ' HG22 ' A' ' 25' ' ' THR . 48.5 tt0 -61.26 -47.07 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.271 0.558 . . . . 0.0 110.368 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.3 m -57.82 -47.86 81.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.02 -48.79 80.17 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.47 -47.12 82.71 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.622 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.414 HD22 ' HE1' ' A' ' 65' ' ' PHE . 44.1 mt -63.25 -41.14 99.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.17 -40.28 95.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.045 0.45 . . . . 0.0 110.668 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -68.59 -45.09 72.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.292 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.16 -43.01 99.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.377 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.523 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 7.0 t80 -56.66 -53.63 55.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.98 -30.68 71.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.888 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.69 -50.74 9.52 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.404 0.621 . . . . 0.0 110.215 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -136.55 98.21 3.75 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.792 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -54.61 -33.8 61.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.534 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -124.64 144.15 50.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.641 0.734 . . . . 0.0 110.347 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.0 mm? -121.31 155.58 34.41 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.42 -1.263 . . . . 0.0 109.56 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.72 171.28 14.21 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.045 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.4 -51.45 69.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.89 -43.36 83.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.642 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -57.74 -46.6 84.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.296 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -64.09 -41.04 97.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.47 -40.92 98.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.354 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.427 ' O ' HG22 ' A' ' 53' ' ' VAL . 24.7 tt0 -66.37 -50.7 62.63 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.11 -43.64 76.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.542 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.39 96.57 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.52 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -60.46 -47.96 83.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.497 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 49' ' ' GLU . 97.2 t -59.91 -32.29 49.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.347 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.437 HD22 ' HG3' ' A' ' 28' ' ' GLN . 94.8 mt -91.22 5.61 48.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.584 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.8 t30 60.22 38.11 20.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.839 0.828 . . . . 0.0 110.292 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.998 ' HB3' ' HG3' ' A' ' 60' ' ' GLN . 90.4 mt -130.62 -171.21 2.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.216 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 p -108.94 174.73 5.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.691 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -65.92 -33.22 75.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 110.318 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -60.12 -38.48 83.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.999 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.998 ' HG3' ' HB3' ' A' ' 56' ' ' LEU . 6.1 mm100 -60.72 -39.96 90.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.553 . . . . 0.0 110.511 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.49 -40.5 34.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.508 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 36.8 tttt -61.43 -47.64 84.82 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.577 HG22 ' HB2' ' B' ' 183' ' ' ASP . 1.7 mp -66.99 -41.68 87.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.461 0.172 . . . . 0.0 111.39 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 46.4 t90 -61.86 -43.83 98.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.966 0.413 . . . . 0.0 110.351 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 8.1 m-85 -72.91 -28.22 62.34 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.359 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -67.37 -41.69 84.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.444 179.311 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.548 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 3.7 t-20 -61.35 -40.16 93.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.227 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 23.4 mmt180 -67.17 -35.62 80.05 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.776 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -62.82 -54.75 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.149 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.539 ' HE3' ' O ' ' B' ' 185' ' ' LEU . 18.9 mtm -67.26 -33.76 76.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.468 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.619 ' HA ' HG11 ' B' ' 186' ' ' VAL . 13.8 ttmm -56.76 -41.58 77.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.117 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ttm -60.06 -37.19 79.14 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.177 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 19.9 mmtp -71.35 -46.41 60.56 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.82 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.561 ' HB2' HG21 ' B' ' 186' ' ' VAL . 21.9 mtpp -84.68 -41.76 15.97 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.477 ' HB2' ' O ' ' A' ' 71' ' ' LYS . 24.7 mtp -83.39 38.59 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.876 0.369 . . . . 0.0 111.59 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.53 179.11 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 58.0 t30 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 63.6 95.04 0.05 OUTLIER 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.769 0.668 . . . . 0.0 110.732 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 65.97 -91.27 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.182 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -154.17 -71.62 0.13 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.668 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -174.04 157.79 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 176' ' ' SER . . . . . 0.462 ' HB3' ' CD ' ' A' ' 19' ' ' LYS . 6.8 m -67.55 85.3 0.18 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.141 0.496 . . . . 0.0 110.235 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . 0.553 ' HG2' ' HD3' ' A' ' 20' ' ' LYS . 4.3 mt-10 -148.16 31.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.995 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -110.7 3.55 19.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.8 0.81 . . . . 0.0 109.023 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . 0.501 ' HG2' ' HB3' ' A' ' 19' ' ' LYS . 5.1 tp10 -78.57 -176.77 5.0 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.426 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 180' ' ' THR . . . . . 0.569 HG23 HE22 ' A' ' 60' ' ' GLN . 2.2 m -129.75 -50.21 1.14 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.587 0.708 . . . . 0.0 110.658 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.65 HG23 ' HA ' ' A' ' 60' ' ' GLN . 1.7 t -127.33 96.02 3.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.056 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 182' ' ' GLU . . . . . 0.534 ' HG2' ' HA ' ' A' ' 18' ' ' ARG . 1.1 tm-20 -58.99 133.05 55.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.331 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . 0.926 ' HB3' ' HB ' ' A' ' 17' ' ' THR . 0.6 OUTLIER -127.46 112.82 15.4 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.218 0.532 . . . . 0.0 111.466 -178.647 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 63.4 m -110.38 -154.6 0.54 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.062 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.585 ' HG ' HG22 ' B' ' 186' ' ' VAL . 51.1 tp -107.17 -69.58 0.83 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 186' ' ' VAL . . . . . 0.619 HG11 ' HA ' ' A' ' 71' ' ' LYS . 44.7 t -149.78 77.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 52.25 43.85 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.565 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.83 84.34 4.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.818 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 1.2 m -81.41 -15.32 55.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.12 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.821 -179.739 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 120.449 0.166 . . . . 0.0 110.63 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.8 ' HG2' ' HA ' ' B' ' 182' ' ' GLU . 1.7 tmm_? -161.17 84.15 0.65 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.133 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -138.35 -42.17 0.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.676 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' B' ' 182' ' ' GLU . 2.2 pptp? -123.93 136.61 54.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.517 0.199 . . . . 0.0 110.713 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.474 ' HD3' ' O ' ' B' ' 182' ' ' GLU . 0.0 OUTLIER -53.02 127.51 24.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.1 0.476 . . . . 0.0 111.432 -179.519 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 31.5 m -59.41 139.25 88.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.324 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 22' ' ' CYS . 1.7 Cg_endo -84.72 88.94 0.92 Allowed 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.536 2.824 . . . . 0.0 112.631 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.15 -179.09 4.83 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.39 156.33 21.88 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 120.749 0.309 . . . . 0.0 110.681 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 47.1 mmtt -62.5 -42.88 99.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.456 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -64.05 -36.88 85.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.848 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.926 ' HG3' HD11 ' A' ' 54' ' ' LEU . 41.4 tt0 -65.51 -40.31 92.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.433 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 7.4 m -67.25 -46.03 74.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.263 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.7 -37.97 89.37 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.441 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -67.15 -49.9 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.0 mt -60.25 -40.2 89.45 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.157 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.654 ' HG2' ' HH2' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -61.0 -48.84 79.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.449 0.643 . . . . 0.0 109.459 178.676 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 34' ' ' LYS . 17.6 ttpp -57.67 -49.89 74.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.183 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.74 -35.79 80.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.177 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -72.13 -39.62 68.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.461 ' HA ' ' HE1' ' A' ' 40' ' ' MET . 21.0 mt -70.49 -35.98 73.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 0.0 110.891 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.14 -45.0 28.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.501 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.01 90.29 3.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.36 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.461 ' HE1' ' HA ' ' A' ' 37' ' ' LEU . 11.7 mmt -55.44 -35.44 65.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.747 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -132.79 154.64 50.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.776 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD21 ' HG2' ' A' ' 46' ' ' ARG . 75.3 mt -147.02 164.99 31.23 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.681 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.91 173.22 11.39 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.004 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -46.17 89.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.382 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.66 -48.71 71.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.662 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.464 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 12.7 tpt180 -61.92 -41.42 97.91 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -64.54 -42.69 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.474 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 84.6 t80 -61.97 -41.37 97.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.177 179.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.618 ' O ' HG21 ' A' ' 53' ' ' VAL . 9.7 tp10 -68.5 -51.8 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.557 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.5 t -54.87 -41.98 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.952 0.406 . . . . 0.0 110.626 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -40.32 87.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.566 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 17.1 ttt180 -66.3 -45.1 81.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.944 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.618 HG21 ' O ' ' A' ' 49' ' ' GLU . 61.7 t -62.01 -20.55 24.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.169 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.926 HD11 ' HG3' ' A' ' 28' ' ' GLN . 1.3 tp -96.43 -80.39 0.43 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.74 ' N ' ' HG ' ' A' ' 54' ' ' LEU . 59.1 t30 169.75 26.37 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.844 0.458 . . . . 0.0 110.18 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.601 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 81.2 mt -133.3 179.97 5.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 111.237 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.464 ' OG1' ' HG2' ' A' ' 60' ' ' GLN . 80.8 p -109.28 177.61 4.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.745 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 38.8 mt-10 -59.57 -43.62 93.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.072 0.463 . . . . 0.0 110.413 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.78 ' HD3' HG22 ' B' ' 180' ' ' THR . 7.8 tmm_? -65.74 -36.56 83.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.414 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.601 ' HB2' ' HB3' ' A' ' 56' ' ' LEU . 14.9 mm100 -65.77 -39.25 90.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 0.0 110.643 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.7 t -77.74 -37.99 24.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -60.68 -46.01 91.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.922 -178.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.1 mt -71.66 -34.61 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.696 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.654 ' HH2' ' HG2' ' A' ' 33' ' ' GLU . 28.0 t90 -64.09 -46.6 83.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -64.08 -35.39 80.6 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -46.56 51.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.895 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.612 ' ND2' ' HB2' ' B' ' 183' ' ' ASP . 2.0 t-20 -61.28 -42.13 98.13 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.674 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -54.53 -39.86 68.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.304 0.573 . . . . 0.0 110.009 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -74.39 -41.17 61.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.791 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.428 ' HE1' ' HB3' ' A' ' 74' ' ' LYS . 1.1 tpt -68.66 -41.57 79.11 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.568 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.623 ' HA ' ' HG2' ' A' ' 74' ' ' LYS . 22.4 mtpp -59.21 -25.66 64.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.339 0.59 . . . . 0.0 110.747 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.535 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 5.8 ttp -82.09 -52.07 7.37 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.258 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -66.15 -24.72 66.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.521 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.623 ' HG2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -68.35 -21.21 64.74 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.545 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 38.4 tpp -171.18 94.78 0.18 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 72' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.404 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -144.47 28.06 1.35 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 110.439 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -76.98 96.03 4.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.115 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 174' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' B' ' 175' ' ' ASP . 59.2 t80 -70.36 -16.89 63.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.496 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . 0.465 ' HB3' ' O ' ' B' ' 174' ' ' PHE . 3.6 t70 74.35 134.64 0.05 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.913 0.758 . . . . 0.0 111.143 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 11.4 m 60.65 23.1 12.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.473 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' B' ' 178' ' ' GLU . 12.9 pt-20 -96.5 -2.39 45.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.897 0.856 . . . . 0.0 108.944 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' B' ' 177' ' ' GLU . 0.9 OUTLIER -120.95 18.44 11.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.044 -1.434 . . . . 0.0 107.948 178.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . 0.721 ' HG3' ' H ' ' B' ' 180' ' ' THR . 5.9 tp10 -64.33 -177.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.559 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 180' ' ' THR . . . . . 0.78 HG22 ' HD3' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -151.09 160.9 43.61 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.582 ' CG2' ' HA ' ' A' ' 60' ' ' GLN . 1.8 t -75.04 81.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 182' ' ' GLU . . . . . 0.8 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 28.3 mt-10 -45.26 110.97 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.058 0.848 . . . . 0.0 110.85 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . 0.612 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 4.9 p-10 -96.32 128.24 43.05 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.747 0.784 . . . . 0.0 110.105 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.14 154.87 30.85 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.956 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.635 ' HG ' HG22 ' B' ' 186' ' ' VAL . 21.8 tp -87.91 -83.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.291 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 186' ' ' VAL . . . . . 0.635 HG22 ' HG ' ' B' ' 185' ' ' LEU . 41.4 t -127.36 88.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.366 0.603 . . . . 0.0 110.386 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . 0.415 ' OE2' ' HG2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -88.16 -39.34 14.6 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.631 179.596 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.507 ' OD1' ' HG2' ' A' ' 75' ' ' MET . 20.1 t0 65.46 31.29 10.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.948 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.33 -5.69 55.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.419 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . 0.435 ' CD ' ' HZ3' ' A' ' 71' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.214 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.989 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 121.103 0.478 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 147.15 39.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.106 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' B' ' 184' ' ' SER . 5.9 tptp -101.13 13.95 33.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.676 0.751 . . . . 0.0 109.57 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -127.44 160.99 29.78 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.23 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.532 ' HG3' HG11 ' B' ' 181' ' ' VAL . 1.4 ttp180 -70.13 161.78 29.54 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.904 ' HB3' ' HA ' ' B' ' 178' ' ' GLU . 0.5 OUTLIER -53.27 148.45 16.0 Favored Pre-proline 0 C--O 1.238 0.474 0 O-C-N 123.326 0.391 . . . . 0.0 111.227 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.7 116.1 2.77 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.043 2.496 . . . . 0.0 112.201 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -95.64 133.93 39.12 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.904 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.18 162.66 27.79 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.039 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.579 ' HE3' HD12 ' A' ' 30' ' ' LEU . 44.8 tttp -59.28 -47.48 85.22 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.62 -44.88 93.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.348 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.511 ' HG3' HD23 ' A' ' 54' ' ' LEU . 8.4 tt0 -61.35 -48.53 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.191 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.2 m -57.99 -44.42 87.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.972 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.579 HD12 ' HE3' ' A' ' 26' ' ' LYS . 94.1 mt -61.3 -40.66 94.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.556 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.1 -47.67 76.4 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 3.8 mm? -61.31 -42.82 99.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.053 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.58 -48.04 82.76 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.321 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -55.3 -42.07 73.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.859 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -71.32 -49.92 37.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -62.46 -32.18 73.02 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 mt -71.68 -37.85 70.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.093 0.473 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -46.2 16.64 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.7 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.31 105.28 4.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.9 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.4 mtt -61.21 -11.9 11.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.184 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -135.36 159.39 41.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.156 0.503 . . . . 0.0 109.869 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD22 ' HG2' ' A' ' 46' ' ' ARG . 38.5 mt -133.47 154.1 51.08 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.344 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 1.6 p -79.65 176.44 9.71 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.057 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . 7.3 mmt180 -62.84 -48.69 77.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.926 0.393 . . . . 0.0 110.766 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.3 -47.44 76.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.458 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HG2' HD22 ' A' ' 42' ' ' LEU . 41.5 ttt180 -62.23 -41.01 98.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.394 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.573 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 15.6 ttm180 -61.99 -44.95 95.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.856 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -66.65 -39.79 88.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.977 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 53' ' ' VAL . 6.5 tp10 -67.33 -50.61 59.34 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.524 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.92 -44.44 82.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.6 93.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.667 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.9 -50.12 75.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.069 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 49' ' ' GLU . 92.5 t -57.49 -31.05 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.246 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.511 HD23 ' HG3' ' A' ' 28' ' ' GLN . 55.6 mt -90.67 2.18 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.421 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.84 37.47 18.57 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.96 0.886 . . . . 0.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.411 HD23 ' HG2' ' A' ' 60' ' ' GLN . 69.3 mt -135.77 -179.27 5.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.432 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -100.49 177.37 5.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.573 ' HB3' ' HD2' ' A' ' 47' ' ' ARG . 13.0 mt-10 -64.79 -29.3 70.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.255 -177.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 ttm105 -61.82 -37.26 83.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.073 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.464 ' HG3' HG22 ' B' ' 181' ' ' VAL . 18.4 mp0 -65.62 -37.99 88.16 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.855 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.9 t -77.06 -48.55 24.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.763 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.467 ' HE2' ' HB3' ' A' ' 62' ' ' LYS . 10.6 ttpt -58.34 -47.22 84.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.878 -178.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.583 HD12 ' HB ' ' B' ' 181' ' ' VAL . 75.2 mt -72.79 -33.54 44.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.651 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.514 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 25.9 t90 -64.64 -40.46 95.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -61.68 -40.31 94.51 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.582 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -36.64 69.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.426 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -61.36 -47.51 85.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.837 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -64.36 -38.73 92.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.081 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.0 tpt85 -65.27 -41.31 94.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.193 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.606 ' HB2' HG22 ' B' ' 186' ' ' VAL . 73.0 mtm -69.92 -34.33 73.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.036 0.446 . . . . 0.0 109.807 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.755 ' HA ' HG11 ' B' ' 186' ' ' VAL . 3.5 tmtm? -64.06 -28.28 69.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.221 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.7 ttt -61.82 -41.75 98.16 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.554 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 70' ' ' MET . 0.1 OUTLIER -88.7 -55.59 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.158 -0.928 . . . . 0.0 113.055 -178.597 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' CB ' HG12 ' B' ' 186' ' ' VAL . 10.3 mtmt -78.28 -74.31 0.28 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.707 ' HA ' ' HB3' ' B' ' 188' ' ' ASP . 35.2 ttp -79.18 58.31 2.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.502 0.668 . . . . 0.0 110.552 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 . . . . . 0 C--O 1.251 1.184 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.514 -179.281 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 64.46 -165.13 0.24 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.451 0.469 . . . . 0.0 110.546 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . 0.535 ' HB2' ' HG2' ' B' ' 177' ' ' GLU . 2.0 pm0 -99.91 68.11 1.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.287 0.565 . . . . 0.0 110.991 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -97.1 -22.0 17.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.329 0.585 . . . . 0.0 110.387 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -130.96 144.31 51.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.184 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 44.0 m 66.28 19.03 11.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.26 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' B' ' 173' ' ' GLU . 0.9 OUTLIER -113.86 13.83 18.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.469 0.652 . . . . 0.0 110.548 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . 0.904 ' HA ' ' HB3' ' A' ' 22' ' ' CYS . 45.9 mt-10 -109.91 -4.8 15.75 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -97.45 -22.72 16.42 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.933 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 180' ' ' THR . . . . . . . . . . . . . 3.7 m -73.19 132.47 43.24 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.358 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.583 ' HB ' HD12 ' A' ' 63' ' ' ILE . 1.8 t -122.57 72.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 182' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.59 131.45 43.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.365 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . 0.565 ' HB2' ' HE2' ' A' ' 70' ' ' MET . 8.9 p-10 -95.93 13.05 28.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.59 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 184' ' ' SER . . . . . 0.51 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 4.6 m -92.47 28.79 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.693 0.759 . . . . 0.0 109.888 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.87 -16.75 43.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.1 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 186' ' ' VAL . . . . . 0.755 HG11 ' HA ' ' A' ' 71' ' ' LYS . 4.4 t -100.04 68.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.445 -178.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -106.83 77.69 1.19 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.049 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.707 ' HB3' ' HA ' ' A' ' 75' ' ' MET . 14.7 t0 -144.42 115.44 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.055 0.455 . . . . 0.0 110.373 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 4.3 m -104.05 -58.41 1.88 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.195 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.887 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.521 ' OG1' ' HB3' ' A' ' 21' ' ' ARG . 17.1 p . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.492 0.187 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' H ' ' HB ' ' A' ' 17' ' ' THR . 7.3 tpm_? -69.94 -24.71 63.4 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.696 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' HG3' ' HB3' ' B' ' 176' ' ' SER . 23.1 tttm -169.01 -67.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 110.85 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HB3' ' HA ' ' B' ' 182' ' ' GLU . 35.4 mtmt -106.34 120.85 42.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.907 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' B' ' 180' ' ' THR . 0.0 OUTLIER -132.99 149.57 52.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.542 179.148 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.8 OUTLIER -122.1 133.96 24.56 Favored Pre-proline 0 C--N 1.316 -0.873 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.426 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.715 ' HG2' ' HG ' ' A' ' 56' ' ' LEU . 78.1 Cg_endo -97.75 17.38 0.55 Allowed 'Trans proline' 0 N--CA 1.45 -1.038 0 C-N-CA 122.69 2.26 . . . . 0.0 112.833 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.633 ' HD2' HD21 ' A' ' 56' ' ' LEU . 12.9 p90 -122.4 141.16 51.88 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.593 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 p -89.22 173.1 8.59 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.622 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 68.1 mmtt -58.78 -41.65 87.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.106 0.412 . . . . 0.0 110.553 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -61.3 -44.96 96.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.307 0.575 . . . . 0.0 109.855 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -66.15 -33.57 76.07 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.589 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -67.84 -41.07 83.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 26' ' ' LYS . 85.8 mt -61.93 -41.95 98.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.523 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 13.2 tt0 -66.28 -42.39 88.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.795 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 13.8 mt -60.35 -40.05 89.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.11 178.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.87 -45.33 94.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.811 0.815 . . . . 0.0 109.866 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -58.79 -35.11 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.422 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 5.6 mm-40 -76.91 -40.04 48.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.969 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.596 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 8.1 t80 -56.88 -51.19 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.234 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.86 -42.96 99.95 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.707 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.41 -49.67 72.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.21 91.31 2.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.49 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -69.64 -28.83 66.23 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 110.493 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 131.24 35.42 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.399 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.64 169.88 16.85 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-O 121.149 0.499 . . . . 0.0 110.393 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.88 175.94 5.51 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.165 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -47.94 82.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 0.0 110.769 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.58 -50.36 65.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.789 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -57.89 -41.4 82.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.05 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -63.33 -46.12 88.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.234 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -68.55 -34.75 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.592 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.52 -53.87 24.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.163 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.04 -40.28 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -60.12 -49.63 76.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.189 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.418 ' HD2' ' HA ' ' A' ' 52' ' ' ARG . 9.5 tpt180 -66.23 -40.56 90.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.759 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.4 t -54.62 -38.73 43.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.418 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.5 mt -94.42 -91.5 0.2 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.588 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -177.09 34.85 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.715 ' HG ' ' HG2' ' A' ' 23' ' ' PRO . 6.3 mp -124.17 -178.74 4.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.919 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.608 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 71.2 p -112.09 174.03 6.08 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 1.7 mp0 -61.32 -37.51 83.53 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -72.53 -41.86 65.39 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.799 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.609 ' HB3' HD22 ' A' ' 56' ' ' LEU . 36.6 mt-30 -62.15 -38.54 89.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.848 0.356 . . . . 0.0 110.549 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.7 t -77.32 -41.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.048 0.452 . . . . 0.0 110.531 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 11.8 ttpt -60.34 -46.92 88.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.479 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -65.09 -44.68 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.461 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.437 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 85.7 t90 -62.71 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.089 0.471 . . . . 0.0 109.784 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 1.2 m-85 -63.48 -39.86 95.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.17 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -71.15 -38.5 72.22 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.218 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.502 ' HB3' HD22 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -63.56 -45.96 88.09 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.482 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.469 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 9.2 mmm180 -61.38 -39.11 89.46 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.332 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.8 -43.03 69.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.428 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 66.2 mtm -63.25 -32.38 73.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.952 0.406 . . . . 0.0 110.585 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.425 ' HG2' ' HB2' ' A' ' 75' ' ' MET . 3.3 tmtm? -68.44 -26.37 65.48 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.171 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.3 ttm -76.66 -39.76 51.22 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.269 0.557 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -87.97 -48.6 7.65 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.177 -0.919 . . . . 0.0 113.288 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HE2' HG13 ' B' ' 186' ' ' VAL . 34.6 tttt -84.41 -45.05 13.11 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.008 0.374 . . . . 0.0 112.008 -176.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.96 ' HG3' HG12 ' B' ' 186' ' ' VAL . 11.2 mtp -82.28 57.99 3.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.332 0.587 . . . . 0.0 110.18 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.384 -179.315 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 172' ' ' GLN . . . . . 0.426 HE21 ' HB2' ' B' ' 172' ' ' GLN . 0.2 OUTLIER -136.08 30.29 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.547 0.689 . . . . 0.0 109.593 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -100.27 34.04 2.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.698 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -71.06 -66.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.447 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.5 -168.24 1.94 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.275 0.56 . . . . 0.0 110.975 -178.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 176' ' ' SER . . . . . 0.526 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . 16.7 m -104.0 120.47 41.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.849 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -160.44 44.42 0.2 Allowed 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.314 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.18 -5.9 9.94 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.783 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.4 -177.73 3.43 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.249 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 180' ' ' THR . . . . . 0.622 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -165.29 -68.96 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.472 0.653 . . . . 0.0 110.4 179.205 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 60' ' ' GLN . 16.3 t -73.1 99.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.794 -178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 182' ' ' GLU . . . . . 0.468 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 11.1 tt0 -33.51 108.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.953 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . 0.436 ' H ' ' HG2' ' A' ' 20' ' ' LYS . 5.1 t70 -99.64 -144.39 0.33 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.55 -1.205 . . . . 0.0 107.952 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 3.5 m 61.62 32.9 18.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.131 0.491 . . . . 0.0 111.412 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 67' ' ' ASN . 52.9 tp -91.42 -28.3 17.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 186' ' ' VAL . . . . . 0.96 HG12 ' HG3' ' A' ' 75' ' ' MET . 2.3 t -104.83 74.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.719 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -83.05 -32.11 27.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.219 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.944 ' HB3' ' HG2' ' A' ' 75' ' ' MET . 21.2 t70 -74.42 94.37 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 2.8 m -101.46 -48.58 4.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.135 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.446 -179.652 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.606 ' HB ' ' H ' ' B' ' 183' ' ' ASP . 17.7 m . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 121.014 0.435 . . . . 0.0 110.752 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -86.92 -8.54 57.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.117 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -70.73 -13.32 62.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.91 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.579 ' HA ' ' HG3' ' B' ' 182' ' ' GLU . 4.0 mtmp? 68.93 166.8 0.27 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.644 0.59 . . . . 0.0 111.949 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.575 ' N ' ' HB2' ' B' ' 182' ' ' GLU . 0.0 OUTLIER -91.94 167.51 12.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.992 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' B' ' 179' ' ' GLU . 16.1 m -60.52 154.76 53.44 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.673 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.88 89.04 0.18 Allowed 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.842 2.362 . . . . 0.0 112.874 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.41 ' HD2' HH21 ' A' ' 21' ' ' ARG . 0.3 OUTLIER -78.98 137.28 37.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.674 HG22 ' H ' ' A' ' 28' ' ' GLN . 10.3 t -73.04 159.42 33.65 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.857 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -57.48 -40.91 79.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.746 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -58.28 -48.53 80.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 110.934 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.674 ' H ' HG22 ' A' ' 25' ' ' THR . 49.6 tt0 -63.0 -44.51 95.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.273 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.686 ' HA ' ' CH2' ' A' ' 64' ' ' TRP . 21.8 m -60.84 -50.09 74.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.068 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.13 -36.46 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.384 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -63.54 -51.03 67.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.688 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.589 HD11 ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -68.6 -44.82 73.49 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.953 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 29' ' ' THR . 6.8 mt-10 -57.21 -39.23 75.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.648 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.88 -44.55 95.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.43 -33.09 74.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.536 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 57.4 t80 -71.73 -39.35 70.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.36 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.8 mt -68.53 -35.33 77.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.364 0.602 . . . . 0.0 110.199 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -73.08 -51.79 16.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.3 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.35 90.31 2.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.071 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.6 mtt -62.86 -35.39 79.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.399 0.618 . . . . 0.0 109.996 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.65 131.29 42.05 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.334 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.559 HD22 ' HG2' ' A' ' 46' ' ' ARG . 15.3 mt -143.91 176.58 9.16 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.342 0.592 . . . . 0.0 110.633 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.8 157.74 16.75 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.793 178.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -59.16 -46.73 87.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.937 0.399 . . . . 0.0 110.469 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.57 -44.4 97.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.176 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HG2' HD22 ' A' ' 42' ' ' LEU . 26.4 tpt180 -64.21 -41.64 96.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.776 179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -63.97 -41.24 97.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.982 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.403 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 20.1 t80 -65.03 -38.78 92.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 53' ' ' VAL . 39.6 tt0 -64.51 -54.03 38.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.103 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.7 t -55.33 -41.8 63.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.986 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.548 ' HB3' HG21 ' A' ' 61' ' ' VAL . . . -66.12 -42.46 89.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.851 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 52' ' ' ARG . 2.2 ttt180 -65.72 -39.77 91.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.364 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 49' ' ' GLU . 25.4 t -50.4 -39.48 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.744 178.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.6 mt -91.71 -84.53 0.26 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 t30 178.99 18.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.503 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.725 ' HB3' ' HG2' ' A' ' 60' ' ' GLN . 1.2 mm? -106.53 177.45 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.096 0.474 . . . . 0.0 111.405 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.85 178.56 4.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.233 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.56 -44.13 97.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.508 . . . . 0.0 110.723 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -60.48 -39.13 86.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.162 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.725 ' HG2' ' HB3' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -67.7 -37.48 82.32 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.499 -178.438 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 51' ' ' ALA . 54.9 t -75.7 -36.97 35.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.956 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -64.09 -48.43 76.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.344 0.592 . . . . 0.0 110.689 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.486 ' HB ' ' CG1' ' B' ' 181' ' ' VAL . 45.6 mm -71.54 -37.05 62.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.842 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.686 ' CH2' ' HA ' ' A' ' 29' ' ' THR . 6.7 t90 -61.08 -43.25 99.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 110.48 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 15.1 m-30 -73.87 -29.44 62.09 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 121.39 0.614 . . . . 0.0 110.567 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -33.89 76.12 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.78 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.594 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 3.8 t-20 -60.32 -39.4 86.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.052 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -59.25 -41.86 89.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.18 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -73.55 -38.73 65.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.579 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.53 ' HG2' ' HA ' ' A' ' 67' ' ' ASN . 2.5 ptm -62.44 -28.84 70.08 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' A' ' 67' ' ' ASN . 4.7 mmmm -65.47 -29.66 70.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.337 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.9 ttp -80.05 -48.72 12.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.149 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -71.07 -14.69 62.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.007 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.988 ' HB2' ' HB ' ' B' ' 186' ' ' VAL . 13.3 pttt -49.14 -30.99 7.42 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.014 0.435 . . . . 0.0 111.812 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.721 ' HG3' ' HA ' ' B' ' 190' ' ' GLU . 23.1 ttm -155.29 75.93 0.96 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.54 -179.524 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.868 0.366 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.07 141.54 46.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -95.38 74.75 3.33 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -115.41 -4.24 12.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.036 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -148.15 27.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.575 0.702 . . . . 0.0 109.945 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 1.2 m -132.27 22.76 4.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.678 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -159.87 28.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.63 27.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.258 0.551 . . . . 0.0 110.512 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . 0.598 ' HB2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -89.15 -173.44 4.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.995 179.348 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 180' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.82 153.23 21.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.366 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.486 ' CG1' ' HB ' ' A' ' 63' ' ' ILE . 24.4 t -74.98 97.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.599 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 182' ' ' GLU . . . . . 0.579 ' HG3' ' HA ' ' A' ' 20' ' ' LYS . 44.4 tt0 -38.74 117.01 0.61 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.38 -1.282 . . . . 0.0 112.102 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . 0.606 ' H ' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -151.61 152.22 32.58 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.441 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 22.0 m 71.04 135.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.977 0.798 . . . . 0.0 111.217 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 22.9 tp -165.13 -65.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.374 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 186' ' ' VAL . . . . . 0.988 ' HB ' ' HB2' ' A' ' 74' ' ' LYS . 1.9 t -130.32 87.57 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -79.48 64.74 4.45 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.116 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 25.2 t0 58.48 33.55 23.2 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.714 0.769 . . . . 0.0 110.386 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 5.1 m -79.71 -10.7 59.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.354 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . 0.721 ' HA ' ' HG3' ' A' ' 75' ' ' MET . 4.2 tt0 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.404 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.317 0.103 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -61.31 -49.69 76.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.586 0.231 . . . . 0.0 110.442 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -56.05 -45.04 79.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.375 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -64.2 -50.09 69.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 m -61.29 -44.06 97.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.328 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.88 -46.6 89.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.41 -50.25 73.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.829 0.347 . . . . 0.0 110.53 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.75 -38.08 86.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -49.71 67.41 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.224 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 44.3 tttp -65.42 -43.34 90.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -61.47 -44.43 97.11 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.124 0.265 . . . . 0.0 111.541 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.5 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 52.2 t80 -70.21 -39.79 74.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 0.0 111.239 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.47 -39.82 85.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -75.87 -49.37 18.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.922 -179.779 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -124.6 96.01 4.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.23 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.2 mtm -59.27 -23.53 62.46 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -128.81 148.72 50.9 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.417 0.627 . . . . 0.0 110.117 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.555 HD13 ' HE2' ' A' ' 65' ' ' PHE . 6.4 mp -134.8 167.54 20.69 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.346 -178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 p -96.59 170.57 9.11 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.907 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -60.79 -51.46 69.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.998 0.428 . . . . 0.0 111.379 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.81 -42.75 94.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.696 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -62.99 -42.44 99.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.102 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -64.32 -41.36 96.85 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 58' ' ' GLU . 81.9 t80 -64.88 -37.99 89.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.909 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.09 -51.0 62.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.067 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.2 t -56.03 -44.91 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.742 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.22 -42.06 99.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.543 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -61.98 -46.95 87.01 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.163 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.77 -36.4 65.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.568 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.38 3.13 37.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.008 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 57.13 37.95 28.77 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.732 0.777 . . . . 0.0 110.865 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mt -135.79 -174.88 3.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.087 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.7 p -88.19 164.23 15.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.579 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 48' ' ' TYR . 43.4 mt-10 -64.6 -30.06 71.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -58.66 -35.89 73.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.508 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -60.04 -41.58 92.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.019 0.438 . . . . 0.0 110.289 -179.822 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.472 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 29.8 t -76.31 -46.17 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.653 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -56.36 -47.1 79.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.733 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 48.1 mm -75.52 -33.75 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.076 -179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.428 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 10.4 t90 -62.42 -42.72 99.65 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.555 ' HE2' HD13 ' A' ' 42' ' ' LEU . 13.7 m-30 -66.17 -39.72 89.95 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.084 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.428 ' OE1' ' HD2' ' A' ' 69' ' ' ARG . 2.1 mp0 -72.06 -37.08 69.72 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.284 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 63' ' ' ILE . 1.9 t-20 -62.24 -35.63 79.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.772 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 68' ' ' ARG . 12.6 tpt180 -64.51 -44.46 90.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.76 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.428 ' HD2' ' OE1' ' A' ' 66' ' ' GLN . 61.9 mtt85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.56 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 121.074 0.464 . . . . 0.0 112.123 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.05 -42.0 89.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.231 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -56.19 -48.98 75.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.292 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -61.32 -45.14 95.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.278 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.491 HG23 ' HZ2' ' A' ' 64' ' ' TRP . 12.9 m -62.13 -49.33 76.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.479 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -64.07 -36.17 83.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.704 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.505 ' HG2' HD21 ' A' ' 54' ' ' LEU . 6.6 tp10 -66.26 -50.01 65.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.95 -41.03 95.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.286 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.624 ' HG2' ' HH2' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -62.65 -47.1 85.15 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.302 179.319 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -57.51 -39.38 76.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.651 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -70.42 -45.6 65.58 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -57.24 -32.97 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.54 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.78 -41.8 43.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.334 0.588 . . . . 0.0 110.45 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.45 -49.99 42.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.15 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -128.66 97.47 4.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.28 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 39.9 mtt -69.5 -30.4 68.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.507 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -108.59 152.3 24.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.024 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.9 mt -145.34 170.16 16.86 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.244 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.84 171.32 7.6 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.336 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -62.86 -52.74 61.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.789 0.328 . . . . 0.0 111.252 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.96 -42.63 97.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.999 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -62.88 -42.3 99.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.382 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -62.12 -45.26 94.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 75.3 t80 -65.09 -37.96 89.18 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 53' ' ' VAL . 15.9 tp10 -65.63 -52.55 51.02 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.141 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.6 t -55.21 -43.3 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.184 0.516 . . . . 0.0 109.76 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.415 ' HB1' ' C ' ' A' ' 56' ' ' LEU . . . -63.48 -43.57 96.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.992 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -68.24 -39.05 82.39 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.861 -179.463 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 49' ' ' GLU . 33.2 t -59.23 -31.6 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.195 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.505 HD21 ' HG2' ' A' ' 31' ' ' GLU . 39.1 mt -97.9 -93.53 0.23 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -176.32 43.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 84.3 mt -134.04 -173.85 3.37 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.827 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.587 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -124.53 178.27 5.5 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -60.05 -43.89 95.07 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 121.152 -0.219 . . . . 0.0 110.867 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.2 ttm105 -68.08 -36.47 79.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.462 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.587 ' HB2' ' H ' ' A' ' 57' ' ' THR . 5.4 mm-40 -64.24 -38.25 90.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.41 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.4 t -77.17 -43.03 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 3.6 tmtp? -59.88 -46.37 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.296 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.6 mt -69.46 -37.61 75.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.959 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.624 ' HH2' ' HG2' ' A' ' 33' ' ' GLU . 30.6 t90 -62.02 -49.33 76.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.939 0.4 . . . . 0.0 110.195 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -66.4 -33.86 76.65 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.325 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -73.28 -45.07 57.84 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.217 -179.736 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -64.75 -48.81 73.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.287 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -34.46 75.94 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.829 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 179.797 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.612 HG23 ' H ' ' A' ' 28' ' ' GLN . 14.5 t . . . . . 0 C--O 1.235 0.341 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HD3' ' HB ' ' A' ' 29' ' ' THR . 1.4 tppp? -59.65 -35.44 74.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.51 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -56.77 -46.46 81.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 109.813 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.612 ' H ' HG23 ' A' ' 25' ' ' THR . 2.8 tp-100 -69.77 -37.32 76.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.489 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.531 ' HA ' ' CZ2' ' A' ' 64' ' ' TRP . 21.5 m -61.34 -50.11 74.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.194 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 26' ' ' LYS . 91.3 mt -58.32 -50.02 75.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.727 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.744 ' HG2' HD21 ' A' ' 54' ' ' LEU . 30.9 tp10 -62.94 -47.38 83.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.537 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.44 -41.67 98.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.622 0.249 . . . . 0.0 111.076 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.97 -39.86 87.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 120.939 0.399 . . . . 0.0 110.048 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -61.24 -47.6 85.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.377 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.95 -40.24 94.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.43 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 70.0 t80 -65.69 -38.7 89.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.243 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.92 -41.54 82.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.167 0.508 . . . . 0.0 110.633 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -70.82 -51.62 25.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.381 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.73 92.39 3.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.658 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 44.5 mtm -57.9 -30.28 65.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.943 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -123.94 147.82 47.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.472 0.653 . . . . 0.0 110.083 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.3 mt -140.22 165.19 28.06 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.832 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 167.39 14.69 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.689 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -47.2 86.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 0.0 110.748 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.05 -48.44 71.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.395 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -62.27 -40.65 96.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.669 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.546 ' NH1' ' HG3' ' A' ' 62' ' ' LYS . 53.9 ttp180 -62.71 -42.24 99.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.229 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.05 -37.14 78.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.029 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 53' ' ' VAL . 4.2 tp10 -62.87 -52.65 62.29 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.5 t -55.72 -44.55 77.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.609 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.68 -44.21 96.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.15 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -65.18 -46.95 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.158 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 49' ' ' GLU . 75.0 t -58.57 -27.64 34.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.744 HD21 ' HG2' ' A' ' 31' ' ' GLU . 79.3 mt -94.13 -91.33 0.2 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.837 0.351 . . . . 0.0 110.487 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -179.44 33.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.329 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.516 ' HB3' ' CB ' ' A' ' 60' ' ' GLN . 56.5 mt -125.86 -173.81 2.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.421 0.629 . . . . 0.0 111.656 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.775 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 41.9 p -121.16 -179.33 4.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.584 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -62.65 -43.36 99.01 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.73 -0.388 . . . . 0.0 109.962 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -68.83 -37.72 79.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.775 ' HB2' ' H ' ' A' ' 57' ' ' THR . 30.4 mm-40 -60.06 -41.15 91.74 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.333 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.1 t -77.34 -40.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.546 ' HG3' ' NH1' ' A' ' 47' ' ' ARG . 20.4 tttt -59.18 -47.61 84.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.088 0.47 . . . . 0.0 110.716 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.4 mm -67.07 -34.41 69.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.442 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.531 ' CZ2' ' HA ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -64.25 -45.74 86.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.216 0.531 . . . . 0.0 109.64 179.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.75 -37.91 82.77 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.522 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -41.28 92.84 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.069 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -66.47 -44.19 83.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.524 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.508 ' HG2' ' HZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -58.74 -35.47 72.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.968 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.426 179.364 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 45.0 mmtm -56.18 -48.49 76.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.411 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -60.75 -44.44 96.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 110.141 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -58.06 -43.68 87.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -66.45 -43.96 84.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.636 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.0 mt -59.01 -42.0 89.04 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.008 0.432 . . . . 0.0 111.125 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.71 -45.08 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD22 HG13 ' A' ' 61' ' ' VAL . 54.8 mt -65.95 -41.12 91.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 6.4 mt-10 -64.75 -36.85 85.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.055 0.455 . . . . 0.0 110.884 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -61.36 -49.57 76.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.637 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' HG3' ' HZ ' ' A' ' 65' ' ' PHE . 7.1 pt-20 -74.33 -33.13 63.07 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.655 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 9.5 t80 -53.75 -54.05 43.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.435 0.636 . . . . 0.0 110.697 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.1 mt -65.88 -36.98 84.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.56 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -62.67 -50.51 70.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.558 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -152.39 105.72 3.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.54 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.528 ' HG2' ' CE1' ' A' ' 36' ' ' PHE . 31.5 mtm -61.42 -30.01 70.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.424 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -117.78 149.29 41.04 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.466 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.625 ' HG ' ' N ' ' A' ' 43' ' ' THR . 25.5 tp -150.35 169.8 20.55 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.286 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.625 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -75.02 156.64 35.99 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.895 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -63.1 -51.03 68.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.652 0.263 . . . . 0.0 110.664 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.44 -45.76 80.63 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HA ' ' HD3' ' A' ' 46' ' ' ARG . 8.7 tpp180 -64.92 -36.88 85.81 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.114 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -65.58 -48.14 73.34 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CD1' ' HG2' ' A' ' 58' ' ' GLU . 2.5 m-85 -58.04 -37.24 74.0 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 53' ' ' VAL . 16.7 tt0 -69.88 -49.46 52.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.695 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -55.21 -42.65 67.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.104 0.478 . . . . 0.0 110.219 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.48 98.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.611 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -42.87 79.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.663 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 49' ' ' GLU . 41.7 t -54.35 -33.09 25.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.952 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 43.8 mt -91.37 -92.04 0.15 Allowed 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.257 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.8 t30 177.65 29.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.209 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 83.5 mt -126.59 171.84 10.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.174 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.421 ' OG1' ' HG3' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -89.3 168.88 11.9 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.391 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.659 ' HG2' ' CD1' ' A' ' 48' ' ' TYR . 36.9 mp0 -61.78 -38.39 87.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.692 0.282 . . . . 0.0 110.632 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.484 ' HG2' HG12 ' A' ' 63' ' ' ILE . 19.6 ttt180 -65.96 -35.02 79.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.766 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 56' ' ' LEU . 3.2 mt-30 -58.63 -40.52 83.6 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.962 0.41 . . . . 0.0 110.883 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.474 HG13 HD22 ' A' ' 32' ' ' LEU . 19.7 t -76.27 -46.0 33.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.572 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.475 ' HE2' ' HB3' ' A' ' 62' ' ' LYS . 5.2 ttpt -61.12 -46.07 92.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.57 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.484 HG12 ' HG2' ' A' ' 59' ' ' ARG . 29.9 mm -64.31 -34.02 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.539 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.432 ' HZ3' ' HB2' ' A' ' 36' ' ' PHE . 80.7 t90 -64.63 -41.88 95.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 6.1 m-85 -65.14 -42.58 93.69 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.84 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -67.61 -39.71 84.74 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.868 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -65.62 -52.38 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.285 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -62.93 -36.06 82.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.092 -179.415 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.961 0.41 . . . . 0.0 110.241 179.378 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -55.3 -45.03 76.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.955 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -59.08 -43.07 91.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.635 0.255 . . . . 0.0 111.129 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.714 ' HG3' HD22 ' A' ' 54' ' ' LEU . 9.9 tt0 -65.24 -52.12 56.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.277 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -57.62 -43.21 84.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.64 -35.25 77.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.645 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.61 -47.01 64.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD21 HD13 ' A' ' 54' ' ' LEU . 3.1 mm? -58.9 -45.65 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.47 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.96 -44.64 95.49 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.078 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -59.67 -44.46 93.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.945 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -66.75 -45.17 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 36.0 t80 -64.52 -35.45 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.337 . . . . 0.0 111.474 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.56 -31.05 63.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.401 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -82.6 -53.26 6.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.469 0.652 . . . . 0.0 110.492 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -133.32 99.84 4.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.365 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.6 mtt -59.43 -24.44 63.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.0 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -129.25 143.13 50.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.425 0.631 . . . . 0.0 110.281 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.444 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.3 mm? -126.8 164.0 22.33 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.833 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.35 170.89 14.08 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.478 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -49.52 77.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.24 -46.4 83.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.214 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -59.29 -44.06 92.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.605 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -64.69 -44.73 89.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.563 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 76.4 t80 -64.09 -36.37 83.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.445 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -69.74 -49.27 54.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.321 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.1 t -59.44 -44.44 92.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.48 93.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.396 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -63.22 -48.32 78.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.387 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 49' ' ' GLU . 95.9 t -59.98 -38.12 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.044 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.714 HD22 ' HG3' ' A' ' 28' ' ' GLN . 18.8 mt -83.84 -2.14 55.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.264 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 t30 60.86 39.84 16.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.969 0.89 . . . . 0.0 109.969 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.585 HD22 ' HG3' ' A' ' 60' ' ' GLN . 64.4 mt -124.37 -177.17 3.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.97 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.418 ' OG1' ' HG2' ' A' ' 60' ' ' GLN . 3.0 p -99.96 164.8 11.84 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.572 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -61.85 -35.46 78.35 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -64.14 -35.65 81.47 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.585 ' HG3' HD22 ' A' ' 56' ' ' LEU . 62.0 mm-40 -59.9 -41.41 91.61 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.128 0.49 . . . . 0.0 109.905 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.1 t -76.76 -45.55 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.673 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -57.79 -46.48 84.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.77 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.6 mt -74.02 -33.65 36.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.466 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 66.2 t90 -65.13 -41.83 94.46 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.13 -32.96 74.73 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.329 0.585 . . . . 0.0 110.25 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -72.93 -40.44 65.45 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.868 178.769 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.91 -46.49 89.2 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.541 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -59.55 -31.31 69.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.03 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 10.9 mmm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.664 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 28' ' ' GLN . 7.1 t . . . . . 0 C--O 1.24 0.573 0 CA-C-O 120.98 0.419 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -54.35 -47.13 72.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.599 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -52.66 -48.5 66.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.259 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.512 ' H ' HG23 ' A' ' 25' ' ' THR . 48.5 tt0 -61.26 -47.07 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.271 0.558 . . . . 0.0 110.368 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.3 m -57.82 -47.86 81.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.02 -48.79 80.17 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.47 -47.12 82.71 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.622 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.437 HD22 ' HE1' ' A' ' 65' ' ' PHE . 44.1 mt -63.25 -41.14 99.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.17 -40.28 95.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.045 0.45 . . . . 0.0 110.668 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -68.59 -45.09 72.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.292 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.16 -43.01 99.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.377 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.507 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 7.0 t80 -56.66 -53.63 55.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.98 -30.68 71.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.888 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.69 -50.74 9.52 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.404 0.621 . . . . 0.0 110.215 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -136.55 98.21 3.75 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.792 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -54.61 -33.8 61.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.534 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -124.64 144.15 50.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.641 0.734 . . . . 0.0 110.347 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.0 mm? -121.31 155.58 34.41 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.42 -1.263 . . . . 0.0 109.56 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.72 171.28 14.21 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.045 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.4 -51.45 69.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.89 -43.36 83.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.642 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -57.74 -46.6 84.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.296 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -64.09 -41.04 97.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.47 -40.92 98.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.354 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 53' ' ' VAL . 24.7 tt0 -66.37 -50.7 62.63 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.11 -43.64 76.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.542 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.39 96.57 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.52 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -60.46 -47.96 83.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.497 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 49' ' ' GLU . 97.2 t -59.91 -32.29 49.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.347 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' A' ' 28' ' ' GLN . 94.8 mt -91.22 5.61 48.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.584 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.8 t30 60.22 38.11 20.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.839 0.828 . . . . 0.0 110.292 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.01 ' HB3' ' HG3' ' A' ' 60' ' ' GLN . 90.4 mt -130.62 -171.21 2.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.216 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.413 ' H ' ' CG ' ' A' ' 60' ' ' GLN . 5.2 p -108.94 174.73 5.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.691 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -65.92 -33.22 75.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 110.318 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -60.12 -38.48 83.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.999 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 1.01 ' HG3' ' HB3' ' A' ' 56' ' ' LEU . 6.1 mm100 -60.72 -39.96 90.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.553 . . . . 0.0 110.511 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.49 -40.5 34.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.508 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 36.8 tttt -61.43 -47.64 84.82 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.99 -41.68 87.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.461 0.172 . . . . 0.0 111.39 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 46.4 t90 -61.86 -43.83 98.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.966 0.413 . . . . 0.0 110.351 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 8.1 m-85 -72.91 -28.22 62.34 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.359 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -67.37 -41.69 84.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.444 179.311 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.35 -40.16 93.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.227 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 23.4 mmt180 -67.17 -35.62 80.05 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.776 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.149 179.832 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 120.749 0.309 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.487 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 47.1 mmtt -62.5 -42.88 99.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.456 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -64.05 -36.88 85.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.848 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.892 ' HG3' HD11 ' A' ' 54' ' ' LEU . 41.4 tt0 -65.51 -40.31 92.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.433 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 7.4 m -67.25 -46.03 74.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.263 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.7 -37.97 89.37 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.441 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 16.8 tt0 -67.15 -49.9 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.0 mt -60.25 -40.2 89.45 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.157 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.663 ' HG2' ' HH2' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -61.0 -48.84 79.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.449 0.643 . . . . 0.0 109.459 178.676 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HE3' ' HB3' ' A' ' 34' ' ' LYS . 17.6 ttpp -57.67 -49.89 74.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.183 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 5.7 mm-40 -62.74 -35.79 80.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.177 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -72.13 -39.62 68.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 37' ' ' LEU . 21.0 mt -70.49 -35.98 73.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 0.0 110.891 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.14 -45.0 28.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.501 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.01 90.29 3.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.36 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 mmt -55.44 -35.44 65.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.747 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -132.79 154.64 50.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.776 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' A' ' 46' ' ' ARG . 75.3 mt -147.02 164.99 31.23 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.681 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.91 173.22 11.39 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.004 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -46.17 89.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.382 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.66 -48.71 71.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.662 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 12.7 tpt180 -61.92 -41.42 97.91 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -64.54 -42.69 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.487 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 84.6 t80 -61.97 -41.37 97.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.177 179.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 53' ' ' VAL . 9.7 tp10 -68.5 -51.8 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.557 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.5 t -54.87 -41.98 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.952 0.406 . . . . 0.0 110.626 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -40.32 87.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.566 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 17.1 ttt180 -66.3 -45.1 81.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.944 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 49' ' ' GLU . 61.7 t -62.01 -20.55 24.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.169 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.892 HD11 ' HG3' ' A' ' 28' ' ' GLN . 1.3 tp -96.43 -80.39 0.43 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.751 ' N ' ' HG ' ' A' ' 54' ' ' LEU . 59.1 t30 169.75 26.37 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.844 0.458 . . . . 0.0 110.18 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 81.2 mt -133.3 179.97 5.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 111.237 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.481 ' OG1' ' HG2' ' A' ' 60' ' ' GLN . 80.8 p -109.28 177.61 4.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.745 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 38.8 mt-10 -59.57 -43.62 93.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.072 0.463 . . . . 0.0 110.413 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -65.74 -36.56 83.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.414 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.625 ' HB2' ' HB3' ' A' ' 56' ' ' LEU . 14.9 mm100 -65.77 -39.25 90.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 0.0 110.643 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.7 t -77.74 -37.99 24.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -60.68 -46.01 91.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.922 -178.805 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.1 mt -71.66 -34.61 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.696 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.663 ' HH2' ' HG2' ' A' ' 33' ' ' GLU . 28.0 t90 -64.09 -46.6 83.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -64.08 -35.39 80.6 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -46.56 51.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.895 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -61.28 -42.13 98.13 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.674 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -54.53 -39.86 68.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.304 0.573 . . . . 0.0 110.009 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.791 179.503 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.607 ' HE3' HD11 ' A' ' 30' ' ' LEU . 44.8 tttp -59.28 -47.48 85.22 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.62 -44.88 93.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.348 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.531 ' HG3' HD22 ' A' ' 54' ' ' LEU . 44.1 tt0 -61.35 -48.53 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.191 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.2 m -57.99 -44.42 87.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.972 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.607 HD11 ' HE3' ' A' ' 26' ' ' LYS . 94.1 mt -61.3 -40.66 94.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.556 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.1 -47.67 76.4 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.527 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 3.8 mm? -61.31 -42.82 99.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.053 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' CD ' HH21 ' A' ' 68' ' ' ARG . 4.8 mm-40 -61.58 -48.04 82.76 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.321 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -55.3 -42.07 73.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.859 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -71.32 -49.92 37.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -62.46 -32.18 73.02 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 mt -71.68 -37.85 70.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.093 0.473 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -46.2 16.64 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.7 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.31 105.28 4.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.9 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.4 mtt -61.21 -11.9 11.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.184 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -135.36 159.39 41.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.156 0.503 . . . . 0.0 109.869 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD22 ' HG2' ' A' ' 46' ' ' ARG . 38.5 mt -133.47 154.1 51.08 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.344 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 1.6 p -79.65 176.44 9.71 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.057 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . 7.3 mmt180 -62.84 -48.69 77.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.926 0.393 . . . . 0.0 110.766 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.3 -47.44 76.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.458 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HG2' HD22 ' A' ' 42' ' ' LEU . 41.5 ttt180 -62.23 -41.01 98.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.394 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.592 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 15.6 ttm180 -61.99 -44.95 95.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.856 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -66.65 -39.79 88.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.977 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.5 tp10 -67.33 -50.61 59.34 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.524 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.92 -44.44 82.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.6 93.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.667 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.9 -50.12 75.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.069 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 49' ' ' GLU . 92.5 t -57.49 -31.05 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.246 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.531 HD22 ' HG3' ' A' ' 28' ' ' GLN . 55.6 mt -90.67 2.18 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.421 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.0 t30 60.84 37.47 18.57 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.96 0.886 . . . . 0.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 60' ' ' GLN . 69.3 mt -135.77 -179.27 5.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.432 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -100.49 177.37 5.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.592 ' HB3' ' HD2' ' A' ' 47' ' ' ARG . 13.0 mt-10 -64.79 -29.3 70.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.255 -177.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 ttm105 -61.82 -37.26 83.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.073 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.427 ' HG2' HD22 ' A' ' 56' ' ' LEU . 18.4 mp0 -65.62 -37.99 88.16 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.855 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.9 t -77.06 -48.55 24.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.763 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.477 ' HE2' ' HB3' ' A' ' 62' ' ' LYS . 10.6 ttpt -58.34 -47.22 84.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.878 -178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.2 mt -72.79 -33.54 44.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.651 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.527 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 25.9 t90 -64.64 -40.46 95.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -61.68 -40.31 94.51 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.582 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -36.64 69.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.426 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -61.36 -47.51 85.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.837 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.405 HH21 ' CD ' ' A' ' 33' ' ' GLU . 16.8 tpt180 -64.36 -38.73 92.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.081 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 69' ' ' ARG . 20.0 tpt85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.193 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.634 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 68.1 mmtt -58.78 -41.65 87.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.106 0.412 . . . . 0.0 110.553 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -61.3 -44.96 96.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.307 0.575 . . . . 0.0 109.855 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -66.15 -33.57 76.07 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.589 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -67.84 -41.07 83.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 26' ' ' LYS . 85.8 mt -61.93 -41.95 98.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.523 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 13.2 tt0 -66.28 -42.39 88.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.795 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.449 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 13.8 mt -60.35 -40.05 89.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.11 178.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.87 -45.33 94.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.811 0.815 . . . . 0.0 109.866 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -58.79 -35.11 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.422 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 5.6 mm-40 -76.91 -40.04 48.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.969 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.597 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 8.1 t80 -56.88 -51.19 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.234 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.86 -42.96 99.95 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.707 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.41 -49.67 72.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.21 91.31 2.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.49 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -69.64 -28.83 66.23 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 110.493 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 131.24 35.42 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.399 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.43 ' HG ' ' HD2' ' A' ' 46' ' ' ARG . 5.1 mp -135.64 169.88 16.85 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-O 121.149 0.499 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.471 ' H ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -118.88 175.94 5.51 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.165 179.299 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -47.94 82.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 0.0 110.769 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.58 -50.36 65.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.789 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HB3' ' H ' ' A' ' 43' ' ' THR . 36.0 ttm180 -57.89 -41.4 82.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.05 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -63.33 -46.12 88.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.234 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -68.55 -34.75 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.592 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.52 -53.87 24.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.163 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.04 -40.28 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -60.12 -49.63 76.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.189 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' A' ' 52' ' ' ARG . 9.5 tpt180 -66.23 -40.56 90.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.759 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.4 t -54.62 -38.73 43.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.418 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.5 mt -94.42 -91.5 0.2 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.588 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -177.09 34.85 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.637 HD23 ' HB3' ' A' ' 60' ' ' GLN . 6.3 mp -124.17 -178.74 4.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.919 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.688 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 71.2 p -112.09 174.03 6.08 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 1.7 mp0 -61.32 -37.51 83.53 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -72.53 -41.86 65.39 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.799 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.688 ' HB2' ' H ' ' A' ' 57' ' ' THR . 36.6 mt-30 -62.15 -38.54 89.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.848 0.356 . . . . 0.0 110.549 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.7 t -77.32 -41.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.048 0.452 . . . . 0.0 110.531 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 11.8 ttpt -60.34 -46.92 88.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.479 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -65.09 -44.68 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.461 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.449 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 85.7 t90 -62.71 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.089 0.471 . . . . 0.0 109.784 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 1.2 m-85 -63.48 -39.86 95.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.17 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -71.15 -38.5 72.22 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.218 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -45.96 88.09 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.482 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.488 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 9.2 mmm180 -61.38 -39.11 89.46 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.332 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.428 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.734 HG23 ' H ' ' A' ' 28' ' ' GLN . 10.3 t . . . . . 0 C--O 1.239 0.527 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -57.48 -40.91 79.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.746 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -58.28 -48.53 80.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 110.934 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.734 ' H ' HG23 ' A' ' 25' ' ' THR . 49.6 tt0 -63.0 -44.51 95.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.273 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.695 ' HA ' ' CH2' ' A' ' 64' ' ' TRP . 21.8 m -60.84 -50.09 74.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.068 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.13 -36.46 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.384 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -63.54 -51.03 67.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.688 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.608 HD12 ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -68.6 -44.82 73.49 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.953 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' THR . 6.8 mt-10 -57.21 -39.23 75.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.648 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.88 -44.55 95.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.43 -33.09 74.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.55 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 57.4 t80 -71.73 -39.35 70.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.36 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.8 mt -68.53 -35.33 77.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.364 0.602 . . . . 0.0 110.199 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -73.08 -51.79 16.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.3 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.35 90.31 2.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.071 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.6 mtt -62.86 -35.39 79.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.399 0.618 . . . . 0.0 109.996 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.65 131.29 42.05 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.334 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.579 HD22 ' HG2' ' A' ' 46' ' ' ARG . 15.3 mt -143.91 176.58 9.16 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.342 0.592 . . . . 0.0 110.633 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.8 157.74 16.75 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.793 178.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -59.16 -46.73 87.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.937 0.399 . . . . 0.0 110.469 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.57 -44.4 97.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.176 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.579 ' HG2' HD22 ' A' ' 42' ' ' LEU . 26.4 tpt180 -64.21 -41.64 96.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.776 179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -63.97 -41.24 97.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.982 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 20.1 t80 -65.03 -38.78 92.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 53' ' ' VAL . 39.6 tt0 -64.51 -54.03 38.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.103 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.7 t -55.33 -41.8 63.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.986 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB2' HG21 ' A' ' 61' ' ' VAL . . . -66.12 -42.46 89.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.851 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 52' ' ' ARG . 2.2 ttt180 -65.72 -39.77 91.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.364 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 49' ' ' GLU . 25.4 t -50.4 -39.48 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.744 178.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.6 mt -91.71 -84.53 0.26 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 t30 178.99 18.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.503 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.722 ' HB3' ' HG2' ' A' ' 60' ' ' GLN . 1.2 mm? -106.53 177.45 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.096 0.474 . . . . 0.0 111.405 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.85 178.56 4.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.233 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.56 -44.13 97.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.508 . . . . 0.0 110.723 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' O ' HG12 ' A' ' 63' ' ' ILE . 22.7 ttt180 -60.48 -39.13 86.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.162 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.722 ' HG2' ' HB3' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -67.7 -37.48 82.32 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.499 -178.438 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.539 HG21 ' HB2' ' A' ' 51' ' ' ALA . 54.9 t -75.7 -36.97 35.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.956 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -64.09 -48.43 76.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.344 0.592 . . . . 0.0 110.689 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 59' ' ' ARG . 45.6 mm -71.54 -37.05 62.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.842 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.695 ' CH2' ' HA ' ' A' ' 29' ' ' THR . 6.7 t90 -61.08 -43.25 99.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 110.48 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 15.1 m-30 -73.87 -29.44 62.09 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 121.39 0.614 . . . . 0.0 110.567 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -33.89 76.12 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.78 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.32 -39.4 86.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.052 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -59.25 -41.86 89.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.18 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.579 179.786 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.492 HG23 HD13 ' B' ' 185' ' ' LEU . 57.4 m . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -120.12 23.45 10.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.417 0.627 . . . . 0.0 110.06 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 14.2 tppt? -122.94 113.84 19.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.695 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt 69.47 -86.76 0.03 OUTLIER 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.936 0.772 . . . . 0.0 111.747 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.736 ' HB2' ' HB3' ' B' ' 182' ' ' GLU . 58.4 ttt180 -58.06 144.2 40.8 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.239 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' B' ' 180' ' ' THR . 21.8 m -67.34 140.58 95.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.73 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -68.13 110.32 2.18 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.873 2.382 . . . . 0.0 112.396 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.41 ' HB3' ' OE1' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -69.69 140.59 53.59 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.553 0.692 . . . . 0.0 110.725 179.58 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -75.14 171.9 13.33 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -61.31 -49.69 76.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.586 0.231 . . . . 0.0 110.442 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -56.05 -45.04 79.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.375 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.41 ' OE1' ' HB3' ' A' ' 24' ' ' TYR . 9.3 tt0 -64.2 -50.09 69.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 m -61.29 -44.06 97.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.328 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.88 -46.6 89.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.41 -50.25 73.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.829 0.347 . . . . 0.0 110.53 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.75 -38.08 86.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -49.71 67.41 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.224 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 44.3 tttp -65.42 -43.34 90.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -61.47 -44.43 97.11 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.124 0.265 . . . . 0.0 111.541 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.5 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 52.2 t80 -70.21 -39.79 74.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 0.0 111.239 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.47 -39.82 85.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -75.87 -49.37 18.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.922 -179.779 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -124.6 96.01 4.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.23 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.2 mtm -59.27 -23.53 62.46 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -128.81 148.72 50.9 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.417 0.627 . . . . 0.0 110.117 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.555 HD13 ' HE2' ' A' ' 65' ' ' PHE . 6.4 mp -134.8 167.54 20.69 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.346 -178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 p -96.59 170.57 9.11 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.907 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -60.79 -51.46 69.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.998 0.428 . . . . 0.0 111.379 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.81 -42.75 94.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.696 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -62.99 -42.44 99.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.102 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -64.32 -41.36 96.85 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 58' ' ' GLU . 81.9 t80 -64.88 -37.99 89.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.909 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.09 -51.0 62.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.067 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.2 t -56.03 -44.91 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.742 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.22 -42.06 99.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.543 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -61.98 -46.95 87.01 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.163 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.77 -36.4 65.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.568 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.38 3.13 37.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.008 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 57.13 37.95 28.77 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.732 0.777 . . . . 0.0 110.865 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mt -135.79 -174.88 3.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.087 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.7 p -88.19 164.23 15.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.579 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 48' ' ' TYR . 43.4 mt-10 -64.6 -30.06 71.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -58.66 -35.89 73.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.508 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -60.04 -41.58 92.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.019 0.438 . . . . 0.0 110.289 -179.822 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.472 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 29.8 t -76.31 -46.17 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.653 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -56.36 -47.1 79.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.733 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 48.1 mm -75.52 -33.75 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.076 -179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.428 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 10.4 t90 -62.42 -42.72 99.65 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.555 ' HE2' HD13 ' A' ' 42' ' ' LEU . 13.7 m-30 -66.17 -39.72 89.95 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.084 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.428 ' OE1' ' HD2' ' A' ' 69' ' ' ARG . 2.1 mp0 -72.06 -37.08 69.72 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.284 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' A' ' 70' ' ' MET . 1.9 t-20 -62.24 -35.63 79.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.772 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.419 ' HD3' HH11 ' A' ' 68' ' ' ARG . 12.6 tpt180 -64.51 -44.46 90.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.76 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.428 ' HD2' ' OE1' ' A' ' 66' ' ' GLN . 61.9 mtt85 -65.06 -46.16 82.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.56 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 67' ' ' ASN . 11.4 ptm -64.26 -30.45 71.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.681 ' HA ' HG11 ' B' ' 186' ' ' VAL . 31.7 ttmt -72.16 -30.66 65.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.209 0.528 . . . . 0.0 110.27 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.8 ttt -75.9 -37.89 58.34 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.751 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -79.33 -52.05 8.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.549 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' HB2' HG12 ' B' ' 186' ' ' VAL . 28.1 mtpp -77.57 -68.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 -178.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.432 ' HE3' ' HB2' ' A' ' 75' ' ' MET . 33.8 ttm -84.12 53.86 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.275 0.559 . . . . 0.0 110.213 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.228 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.51 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.844 0.354 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -152.78 162.01 41.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.785 0.326 . . . . 0.0 110.709 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -125.04 26.42 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.001 0.429 . . . . 0.0 110.174 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -81.2 -80.68 0.14 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.44 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 175' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' B' ' 176' ' ' SER . 56.4 m-20 36.79 -107.37 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 124.207 0.942 . . . . 0.0 110.912 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 176' ' ' SER . . . . . 0.923 ' HB3' ' HB2' ' B' ' 179' ' ' GLU . 23.2 t 165.78 149.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.095 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.21 -13.19 61.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.461 0.648 . . . . 0.0 111.11 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.05 11.03 10.19 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.739 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 179' ' ' GLU . . . . . 0.923 ' HB2' ' HB3' ' B' ' 176' ' ' SER . 4.2 tp10 -81.92 -36.0 28.54 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 122.112 0.958 . . . . 0.0 109.135 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 180' ' ' THR . . . . . 0.523 ' HA ' ' SG ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -84.82 -25.94 27.79 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.549 179.014 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 5.2 t -133.45 85.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 182' ' ' GLU . . . . . 0.736 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -91.54 149.2 21.78 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.58 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -129.3 51.13 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.136 0.493 . . . . 0.0 110.691 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 23.2 m -144.17 12.19 1.58 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.492 HD13 HG23 ' A' ' 17' ' ' THR . 45.5 tp -62.74 -25.98 68.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 186' ' ' VAL . . . . . 0.681 HG11 ' HA ' ' A' ' 71' ' ' LYS . 14.2 t -110.16 81.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.59 -18.67 18.8 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.524 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.12 100.89 4.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 1.1 m -83.38 -60.6 2.09 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.983 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.348 -0.834 . . . . 0.0 111.723 -179.783 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 120.543 0.211 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 70.81 129.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.027 0.83 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.838 ' HD2' ' HG2' ' B' ' 182' ' ' GLU . 0.1 OUTLIER -68.75 92.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.76 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' C ' ' HB2' ' B' ' 182' ' ' GLU . 9.7 ptpp? -129.66 171.13 12.96 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.118 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' HD2' ' OH ' ' A' ' 24' ' ' TYR . 4.9 tpp180 -97.37 125.93 42.29 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.471 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -60.28 137.75 91.74 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.698 0.285 . . . . 0.0 110.35 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 22' ' ' CYS . 6.2 Cg_exo -80.06 67.06 8.74 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.876 2.384 . . . . 0.0 111.986 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.444 ' OH ' ' HD2' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -79.62 140.0 37.26 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 121.366 0.603 . . . . 0.0 109.603 179.267 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.32 167.99 20.11 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.123 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.05 -42.0 89.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.231 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -56.19 -48.98 75.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.292 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -61.32 -45.14 95.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.278 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.491 HG23 ' HZ2' ' A' ' 64' ' ' TRP . 12.9 m -62.13 -49.33 76.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.479 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -64.07 -36.17 83.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.704 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.505 ' HG2' HD21 ' A' ' 54' ' ' LEU . 6.6 tp10 -66.26 -50.01 65.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.95 -41.03 95.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.286 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.624 ' HG2' ' HH2' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -62.65 -47.1 85.15 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.302 179.319 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -57.51 -39.38 76.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.651 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -70.42 -45.6 65.58 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -57.24 -32.97 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.54 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.78 -41.8 43.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.334 0.588 . . . . 0.0 110.45 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.45 -49.99 42.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.15 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -128.66 97.47 4.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.28 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 39.9 mtt -69.5 -30.4 68.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.507 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -108.59 152.3 24.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.024 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.9 mt -145.34 170.16 16.86 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.244 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.84 171.32 7.6 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.336 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -62.86 -52.74 61.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.789 0.328 . . . . 0.0 111.252 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.96 -42.63 97.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.999 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -62.88 -42.3 99.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.382 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -62.12 -45.26 94.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 75.3 t80 -65.09 -37.96 89.18 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 53' ' ' VAL . 15.9 tp10 -65.63 -52.55 51.02 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.141 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.6 t -55.21 -43.3 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.184 0.516 . . . . 0.0 109.76 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.415 ' HB1' ' C ' ' A' ' 56' ' ' LEU . . . -63.48 -43.57 96.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.992 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -68.24 -39.05 82.39 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.861 -179.463 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 49' ' ' GLU . 33.2 t -59.23 -31.6 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.195 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.505 HD21 ' HG2' ' A' ' 31' ' ' GLU . 39.1 mt -97.9 -93.53 0.23 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -176.32 43.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 84.3 mt -134.04 -173.85 3.37 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.827 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.587 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -124.53 178.27 5.5 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -60.05 -43.89 95.07 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 121.152 -0.219 . . . . 0.0 110.867 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.2 ttm105 -68.08 -36.47 79.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.462 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.587 ' HB2' ' H ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -64.24 -38.25 90.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.41 -179.315 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.4 t -77.17 -43.03 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 3.6 tmtp? -59.88 -46.37 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.296 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.6 mt -69.46 -37.61 75.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.959 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.624 ' HH2' ' HG2' ' A' ' 33' ' ' GLU . 30.6 t90 -62.02 -49.33 76.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.939 0.4 . . . . 0.0 110.195 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -66.4 -33.86 76.65 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.325 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -73.28 -45.07 57.84 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.217 -179.736 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.557 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.5 t-20 -64.75 -48.81 73.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.287 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -34.46 75.94 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.829 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -61.36 -56.87 15.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.441 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 1.5 ptm -67.55 -33.37 74.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.904 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.859 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -58.96 -45.4 90.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.491 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.566 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 8.6 ttt -61.45 -45.25 95.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -64.23 -48.27 76.46 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.799 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.859 ' HE3' ' HA ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -75.49 -18.29 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.503 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.445 ' HB3' ' NZ ' ' A' ' 74' ' ' LYS . 20.5 ttt -161.23 92.0 0.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.141 0.496 . . . . 0.0 110.167 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.566 ' HB2' ' O ' ' A' ' 72' ' ' MET . 52.3 t30 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.212 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.737 0.303 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -92.57 24.19 3.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.117 0.484 . . . . 0.0 110.303 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -80.74 80.57 7.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.355 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -145.27 -63.13 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.53 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 30.1 t70 60.82 30.2 19.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.516 0.674 . . . . 0.0 110.967 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 11.8 m -131.33 56.02 1.83 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.939 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 177' ' ' GLU . . . . . 0.683 ' HG3' ' HG2' ' B' ' 178' ' ' GLU . 12.9 pt-20 -102.18 -17.65 15.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.493 0.663 . . . . 0.0 110.194 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 178' ' ' GLU . . . . . 0.683 ' HG2' ' HG3' ' B' ' 177' ' ' GLU . 22.9 mm-40 -129.85 25.93 5.28 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.635 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -175.81 3.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.899 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 180' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 19' ' ' LYS . 2.4 m -97.31 136.14 38.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.025 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.493 HG21 ' HA ' ' A' ' 60' ' ' GLN . 1.7 t -112.08 90.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 182' ' ' GLU . . . . . 0.838 ' HG2' ' HD2' ' A' ' 19' ' ' LYS . 1.4 tm-20 -59.06 112.96 1.88 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.055 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.77 74.8 9.71 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.51 0.672 . . . . 0.0 109.682 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.62 125.81 29.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.121 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 8.9 tp -65.54 -63.25 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.153 0.501 . . . . 0.0 109.856 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 186' ' ' VAL . . . . . 0.667 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 21.2 t -129.98 88.45 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.314 0.578 . . . . 0.0 109.601 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -26.66 57.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.817 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 35.4 t70 64.78 30.06 12.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.692 0.758 . . . . 0.0 110.085 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 4.3 m -103.81 -52.02 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.163 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.505 -179.554 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.522 HG23 ' HB2' ' A' ' 20' ' ' LYS . 9.2 t . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 120.8 0.334 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -79.72 159.08 26.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.63 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? 72.83 -45.7 0.63 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.699 0.8 . . . . 0.0 111.501 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.9 mptp? -77.12 -149.73 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.824 0.345 . . . . 0.0 111.039 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' H ' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -44.48 134.57 5.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.649 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 38.6 m -61.71 140.09 95.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 22' ' ' CYS . 37.9 Cg_exo -60.29 127.59 23.5 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.839 2.359 . . . . 0.0 112.222 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -100.59 150.27 22.88 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-O 120.913 0.387 . . . . 0.0 109.974 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.612 HG23 ' H ' ' A' ' 28' ' ' GLN . 14.5 t -75.64 157.5 33.65 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.087 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HD3' ' HB ' ' A' ' 29' ' ' THR . 1.4 tppp? -59.65 -35.44 74.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.51 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -56.77 -46.46 81.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 109.813 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.612 ' H ' HG23 ' A' ' 25' ' ' THR . 2.8 tp-100 -69.77 -37.32 76.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.489 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.531 ' HA ' ' CZ2' ' A' ' 64' ' ' TRP . 21.5 m -61.34 -50.11 74.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.194 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 26' ' ' LYS . 91.3 mt -58.32 -50.02 75.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.727 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.744 ' HG2' HD21 ' A' ' 54' ' ' LEU . 30.9 tp10 -62.94 -47.38 83.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.537 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.44 -41.67 98.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.622 0.249 . . . . 0.0 111.076 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.97 -39.86 87.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 120.939 0.399 . . . . 0.0 110.048 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -61.24 -47.6 85.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.377 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.95 -40.24 94.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.43 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 70.0 t80 -65.69 -38.7 89.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.243 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.92 -41.54 82.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.167 0.508 . . . . 0.0 110.633 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -70.82 -51.62 25.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.381 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.73 92.39 3.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.658 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 44.5 mtm -57.9 -30.28 65.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.943 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -123.94 147.82 47.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.472 0.653 . . . . 0.0 110.083 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.3 mt -140.22 165.19 28.06 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.832 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 167.39 14.69 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.689 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -47.2 86.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 0.0 110.748 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.05 -48.44 71.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.395 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -62.27 -40.65 96.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.669 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.546 ' NH1' ' HG3' ' A' ' 62' ' ' LYS . 53.9 ttp180 -62.71 -42.24 99.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.229 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.05 -37.14 78.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.029 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 53' ' ' VAL . 4.2 tp10 -62.87 -52.65 62.29 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.5 t -55.72 -44.55 77.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.609 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.68 -44.21 96.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.15 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -65.18 -46.95 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.158 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 49' ' ' GLU . 75.0 t -58.57 -27.64 34.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.744 HD21 ' HG2' ' A' ' 31' ' ' GLU . 79.3 mt -94.13 -91.33 0.2 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.837 0.351 . . . . 0.0 110.487 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -179.44 33.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.329 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.516 ' HB3' ' CB ' ' A' ' 60' ' ' GLN . 56.5 mt -125.86 -173.81 2.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.421 0.629 . . . . 0.0 111.656 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.775 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 41.9 p -121.16 -179.33 4.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.584 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -62.65 -43.36 99.01 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.73 -0.388 . . . . 0.0 109.962 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -68.83 -37.72 79.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.775 ' HB2' ' H ' ' A' ' 57' ' ' THR . 30.4 mm-40 -60.06 -41.15 91.74 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.333 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.1 t -77.34 -40.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.546 ' HG3' ' NH1' ' A' ' 47' ' ' ARG . 20.4 tttt -59.18 -47.61 84.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.088 0.47 . . . . 0.0 110.716 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.563 HD12 ' HB3' ' B' ' 183' ' ' ASP . 46.4 mm -67.07 -34.41 69.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.442 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.531 ' CZ2' ' HA ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -64.25 -45.74 86.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.216 0.531 . . . . 0.0 109.64 179.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.75 -37.91 82.77 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.522 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -41.28 92.84 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.069 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.425 ' OD1' ' HB3' ' B' ' 185' ' ' LEU . 2.8 m-20 -66.47 -44.19 83.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.524 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.508 ' HG2' ' HZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -58.74 -35.47 72.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.968 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.455 ' HG2' ' HE2' ' A' ' 73' ' ' LYS . 52.3 ttp180 -65.45 -43.17 91.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.426 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.623 ' HA ' ' HD2' ' A' ' 73' ' ' LYS . 43.0 mtm -71.73 -34.38 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.093 0.473 . . . . 0.0 110.315 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.607 ' HG2' ' HG3' ' A' ' 75' ' ' MET . 7.0 tmtm? -64.82 -26.6 68.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.157 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -22.1 57.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.369 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.623 ' HD2' ' HA ' ' A' ' 70' ' ' MET . 41.3 mttm -88.91 -62.7 1.42 Allowed 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.657 ' HB2' ' HB3' ' B' ' 188' ' ' ASP . 0.1 OUTLIER -87.82 -73.21 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -176.644 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.607 ' HG3' ' HG2' ' A' ' 71' ' ' LYS . 17.5 ptp -80.87 46.45 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.524 0.678 . . . . 0.0 111.351 -178.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.5 t30 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.218 179.62 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.749 0.309 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -105.64 24.46 12.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.2 0.524 . . . . 0.0 110.199 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 173' ' ' GLU . . . . . 0.55 ' HA ' ' HB2' ' B' ' 177' ' ' GLU . 17.9 mp0 -90.19 92.33 8.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.782 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -108.35 -60.96 1.66 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.327 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -156.23 9.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.362 0.601 . . . . 0.0 110.989 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 6.7 m -142.29 28.13 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.008 0.432 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 177' ' ' GLU . . . . . 0.55 ' HB2' ' HA ' ' B' ' 173' ' ' GLU . 0.0 OUTLIER -138.13 22.18 2.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 -179.798 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.09 24.21 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 179' ' ' GLU . . . . . 0.578 ' HG3' ' H ' ' B' ' 180' ' ' THR . 3.8 tp10 -81.4 -177.61 6.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.05 0.452 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 180' ' ' THR . . . . . 0.578 ' H ' ' HG3' ' B' ' 179' ' ' GLU . 0.6 OUTLIER -98.34 -50.02 4.47 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 122.335 1.064 . . . . 0.0 108.96 178.527 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.546 HG11 ' HA ' ' A' ' 60' ' ' GLN . 2.3 t -113.08 73.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 113.458 -1.701 . . . . 0.0 107.873 178.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 182' ' ' GLU . . . . . 0.414 ' HG2' ' HB3' ' B' ' 179' ' ' GLU . 24.8 mt-10 -61.66 127.66 32.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.48 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 183' ' ' ASP . . . . . 0.563 ' HB3' HD12 ' A' ' 63' ' ' ILE . 1.6 p-10 -84.47 -8.86 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.932 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 184' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 4.6 m -81.59 49.8 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.102 0.477 . . . . 0.0 110.141 178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.425 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . 1.6 tt -95.03 -24.33 16.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 186' ' ' VAL . . . . . 0.58 HG13 ' HG2' ' A' ' 75' ' ' MET . 5.9 t -94.02 50.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.608 0.718 . . . . 0.0 109.837 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.2 74.54 7.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.086 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.657 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . 11.7 t70 -101.85 29.23 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.358 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 1.2 p -174.28 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.36 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.245 0.858 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.031 -179.844 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 120.789 0.328 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -123.29 -40.83 2.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.751 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -137.87 -7.73 1.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.315 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 67.62 171.25 0.27 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.504 0.669 . . . . 0.0 111.788 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.54 ' HB3' ' HG ' ' B' ' 185' ' ' LEU . 4.3 tpt180 -68.7 135.49 51.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.743 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.55 ' HB3' HG22 ' B' ' 180' ' ' THR . 1.2 p -65.66 139.2 96.97 Favored Pre-proline 0 C--O 1.237 0.407 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.701 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 22' ' ' CYS . 23.9 Cg_exo -64.73 125.36 14.71 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 123.024 2.483 . . . . 0.0 112.419 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -101.1 140.39 35.46 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.686 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.02 157.05 38.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.273 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 45.0 mmtm -56.18 -48.49 76.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.411 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -60.75 -44.44 96.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 110.141 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -58.06 -43.68 87.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -66.45 -43.96 84.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.636 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.0 mt -59.01 -42.0 89.04 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.008 0.432 . . . . 0.0 111.125 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.71 -45.08 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD22 HG13 ' A' ' 61' ' ' VAL . 54.8 mt -65.95 -41.12 91.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 6.4 mt-10 -64.75 -36.85 85.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.055 0.455 . . . . 0.0 110.884 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -61.36 -49.57 76.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.637 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' HG3' ' HZ ' ' A' ' 65' ' ' PHE . 7.1 pt-20 -74.33 -33.13 63.07 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.655 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 9.5 t80 -53.75 -54.05 43.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.435 0.636 . . . . 0.0 110.697 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.1 mt -65.88 -36.98 84.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.56 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -62.67 -50.51 70.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.558 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -152.39 105.72 3.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.54 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.528 ' HG2' ' CE1' ' A' ' 36' ' ' PHE . 31.5 mtm -61.42 -30.01 70.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.424 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -117.78 149.29 41.04 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.466 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.625 ' HG ' ' N ' ' A' ' 43' ' ' THR . 25.5 tp -150.35 169.8 20.55 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.286 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.625 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -75.02 156.64 35.99 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.895 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -63.1 -51.03 68.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.652 0.263 . . . . 0.0 110.664 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.44 -45.76 80.63 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HA ' ' HD3' ' A' ' 46' ' ' ARG . 8.7 tpp180 -64.92 -36.88 85.81 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.114 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -65.58 -48.14 73.34 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CD1' ' HG2' ' A' ' 58' ' ' GLU . 2.5 m-85 -58.04 -37.24 74.0 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 53' ' ' VAL . 16.7 tt0 -69.88 -49.46 52.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.695 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -55.21 -42.65 67.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.104 0.478 . . . . 0.0 110.219 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.48 98.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.611 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -42.87 79.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.663 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 49' ' ' GLU . 41.7 t -54.35 -33.09 25.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.952 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 43.8 mt -91.37 -92.04 0.15 Allowed 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.257 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.8 t30 177.65 29.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.209 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 83.5 mt -126.59 171.84 10.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.174 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.421 ' OG1' ' HG3' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -89.3 168.88 11.9 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.391 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.659 ' HG2' ' CD1' ' A' ' 48' ' ' TYR . 36.9 mp0 -61.78 -38.39 87.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.692 0.282 . . . . 0.0 110.632 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.484 ' HG2' HG12 ' A' ' 63' ' ' ILE . 19.6 ttt180 -65.96 -35.02 79.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.766 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.568 ' HA ' HG11 ' B' ' 181' ' ' VAL . 3.2 mt-30 -58.63 -40.52 83.6 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.962 0.41 . . . . 0.0 110.883 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.474 HG13 HD22 ' A' ' 32' ' ' LEU . 19.7 t -76.27 -46.0 33.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.572 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.475 ' HE2' ' HB3' ' A' ' 62' ' ' LYS . 5.2 ttpt -61.12 -46.07 92.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.57 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.484 HG12 ' HG2' ' A' ' 59' ' ' ARG . 29.9 mm -64.31 -34.02 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.539 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.432 ' HZ3' ' HB2' ' A' ' 36' ' ' PHE . 80.7 t90 -64.63 -41.88 95.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 6.1 m-85 -65.14 -42.58 93.69 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.84 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -39.71 84.74 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.868 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.413 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 7.7 t30 -65.62 -52.38 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.285 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -62.93 -36.06 82.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.092 -179.415 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.63 -41.15 98.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.961 0.41 . . . . 0.0 110.241 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.413 ' HE2' ' HA ' ' A' ' 67' ' ' ASN . 2.5 ptp -74.2 -29.68 61.86 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.89 ' HA ' HG11 ' B' ' 186' ' ' VAL . 53.7 tttm -63.23 -36.83 84.94 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.491 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.6 ttp -53.93 -51.92 62.24 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.826 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -87.75 -39.95 14.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.4 -70.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.01 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.811 ' HG2' ' HA ' ' B' ' 188' ' ' ASP . 66.8 mtm -83.09 57.6 4.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.568 0.699 . . . . 0.0 109.337 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--O 1.244 0.803 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.341 -179.307 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 65.1 t30 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -122.78 45.92 2.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.685 0.279 . . . . 0.0 111.354 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.62 -9.22 59.05 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.18 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -74.63 -34.47 62.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.082 0.467 . . . . 0.0 109.967 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.87 54.18 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 176' ' ' SER . . . . . 0.436 ' HB2' ' NH1' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -77.5 59.1 1.85 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.933 -178.714 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -84.77 -11.25 56.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.13 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -126.62 21.6 7.06 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.5 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.66 -177.26 2.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.135 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 180' ' ' THR . . . . . 0.55 HG22 ' HB3' ' A' ' 22' ' ' CYS . 1.7 m -90.06 -19.0 24.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.784 0.802 . . . . 0.0 109.685 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 60' ' ' GLN . 3.0 t -100.1 67.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.41 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 182' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.84 146.4 28.94 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.291 0.567 . . . . 0.0 111.232 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.03 -18.73 60.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.908 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 15.9 m -79.23 116.95 19.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.19 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.54 ' HG ' ' HB3' ' A' ' 21' ' ' ARG . 1.2 tm? -166.08 -33.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.945 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 186' ' ' VAL . . . . . 0.89 HG11 ' HA ' ' A' ' 71' ' ' LYS . 38.3 t -100.57 69.23 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.365 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 187' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' B' ' 187' ' ' GLU . 4.7 pt-20 -81.54 -0.77 43.61 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.223 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.811 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 44.1 t0 62.99 64.32 0.87 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.219 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 36.1 m -142.48 -4.54 0.98 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.928 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.708 -179.7 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.562 HG22 ' HB2' ' A' ' 20' ' ' LYS . 1.4 m . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.603 0.24 . . . . 0.0 111.616 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER 56.52 46.42 20.59 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.011 -179.121 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 56.7 tttt 73.16 -68.07 0.24 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.845 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HB2' HG22 ' A' ' 17' ' ' THR . 1.7 tptp 57.16 -155.15 0.33 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.441 0.463 . . . . 0.0 110.846 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.606 ' HG2' ' HA ' ' B' ' 183' ' ' ASP . 0.2 OUTLIER -66.43 129.46 39.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.03 138.39 35.45 Favored Pre-proline 0 C--N 1.328 -0.356 0 O-C-N 123.436 0.46 . . . . 0.0 110.953 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -76.32 78.04 3.37 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.555 2.17 . . . . 0.0 112.897 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CE2' ' HD2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -68.66 126.17 28.84 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.033 178.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.2 p -73.81 166.87 22.54 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.138 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -55.3 -45.03 76.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.955 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -59.08 -43.07 91.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.635 0.255 . . . . 0.0 111.129 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.714 ' HG3' HD22 ' A' ' 54' ' ' LEU . 9.9 tt0 -65.24 -52.12 56.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.277 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -57.62 -43.21 84.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.64 -35.25 77.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.645 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.61 -47.01 64.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD21 HD13 ' A' ' 54' ' ' LEU . 3.1 mm? -58.9 -45.65 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.47 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.96 -44.64 95.49 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.078 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -59.67 -44.46 93.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.945 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -66.75 -45.17 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 36.0 t80 -64.52 -35.45 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.337 . . . . 0.0 111.474 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.56 -31.05 63.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.401 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -82.6 -53.26 6.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.469 0.652 . . . . 0.0 110.492 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -133.32 99.84 4.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.365 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.6 mtt -59.43 -24.44 63.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.0 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -129.25 143.13 50.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.425 0.631 . . . . 0.0 110.281 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 42' ' ' LEU . 2.3 mm? -126.8 164.0 22.33 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.833 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.35 170.89 14.08 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.478 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -49.52 77.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.24 -46.4 83.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.214 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -59.29 -44.06 92.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.605 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -64.69 -44.73 89.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.563 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 76.4 t80 -64.09 -36.37 83.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.445 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -69.74 -49.27 54.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.321 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.1 t -59.44 -44.44 92.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.48 93.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.396 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -63.22 -48.32 78.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.387 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 49' ' ' GLU . 95.9 t -59.98 -38.12 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.044 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.714 HD22 ' HG3' ' A' ' 28' ' ' GLN . 18.8 mt -83.84 -2.14 55.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.264 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 t30 60.86 39.84 16.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.969 0.89 . . . . 0.0 109.969 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.585 HD22 ' HG3' ' A' ' 60' ' ' GLN . 64.4 mt -124.37 -177.17 3.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.97 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.52 HG21 ' HA ' ' B' ' 179' ' ' GLU . 3.0 p -99.96 164.8 11.84 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.572 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -61.85 -35.46 78.35 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -64.14 -35.65 81.47 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.585 ' HG3' HD22 ' A' ' 56' ' ' LEU . 62.0 mm-40 -59.9 -41.41 91.61 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.128 0.49 . . . . 0.0 109.905 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.1 t -76.76 -45.55 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.673 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -57.79 -46.48 84.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.77 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.75 HD12 ' HB ' ' B' ' 181' ' ' VAL . 22.6 mt -74.02 -33.65 36.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.466 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 66.2 t90 -65.13 -41.83 94.46 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.13 -32.96 74.73 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.329 0.585 . . . . 0.0 110.25 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -72.93 -40.44 65.45 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.868 178.769 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.91 -46.49 89.2 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.541 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -59.55 -31.31 69.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.03 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 10.9 mmm180 -64.67 -50.22 67.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.664 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -72.66 -30.02 63.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.134 0.492 . . . . 0.0 110.265 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.647 ' HE3' ' HA ' ' B' ' 186' ' ' VAL . 8.1 mttp -63.59 -32.52 74.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.823 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.3 ttm -58.57 -41.85 86.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.319 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -71.03 -40.84 71.51 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.977 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -78.53 -58.01 3.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.835 0.35 . . . . 0.0 111.386 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 17.8 ttt -95.36 62.13 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.535 0.683 . . . . 0.0 109.963 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.646 -179.866 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 171' ' ' ASN . . . . . 0.414 ' HB3' ' H ' ' B' ' 172' ' ' GLN . 71.9 m-20 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 172' ' ' GLN . . . . . 0.414 ' H ' ' HB3' ' B' ' 171' ' ' ASN . 50.8 mt-30 -88.51 70.1 8.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -96.48 -3.85 42.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.957 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -121.31 -8.47 9.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.231 0.539 . . . . 0.0 110.338 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -133.53 135.24 44.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.964 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 176' ' ' SER . . . . . 0.571 ' CB ' ' HB3' ' B' ' 179' ' ' GLU . 2.1 m -132.78 -176.78 4.22 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.829 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -91.24 -72.44 0.58 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.403 0.621 . . . . 0.0 110.422 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.63 -0.38 10.8 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.65 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 179' ' ' GLU . . . . . 0.571 ' HB3' ' CB ' ' B' ' 176' ' ' SER . 40.6 tt0 -66.41 -36.88 83.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.605 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 180' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.01 132.95 34.69 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.846 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.75 ' HB ' HD12 ' A' ' 63' ' ' ILE . 3.2 t -116.01 97.16 5.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 182' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -53.75 -51.87 62.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.865 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 183' ' ' ASP . . . . . 0.606 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 6.0 t70 65.52 134.59 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.324 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.54 -165.93 1.37 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.637 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.497 ' HG ' HG23 ' B' ' 186' ' ' VAL . 40.0 tp -101.5 -86.26 0.41 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 186' ' ' VAL . . . . . 0.647 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 61.2 t -140.97 92.24 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 187' ' ' GLU . . . . . 0.462 ' HA ' ' CD ' ' B' ' 190' ' ' GLU . 2.1 pm0 -74.56 80.07 1.97 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.341 0.591 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -130.58 21.2 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.044 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.6 -37.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.092 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 190' ' ' GLU . . . . . 0.462 ' CD ' ' HA ' ' B' ' 187' ' ' GLU . 1.6 pm0 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.461 -0.781 . . . . 0.0 110.606 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.94 ' HB ' ' HB3' ' B' ' 183' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.969 0.414 . . . . 0.0 110.702 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HA ' ' HG2' ' B' ' 182' ' ' GLU . 43.3 mtm180 -75.28 92.09 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HB3' ' HG2' ' B' ' 179' ' ' GLU . 1.6 tppp? -131.91 -73.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.948 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HD3' ' HG2' ' B' ' 177' ' ' GLU . 22.7 tptm -162.71 133.8 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.736 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.654 ' HG2' ' HE2' ' A' ' 24' ' ' TYR . 6.7 ttp180 -108.0 136.94 46.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.3 p -71.74 150.57 93.26 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 120.714 0.292 . . . . 0.0 110.554 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.47 99.81 0.74 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.711 2.274 . . . . 0.0 113.582 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.654 ' HE2' ' HG2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -87.67 136.21 33.05 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.049 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 28' ' ' GLN . 7.1 t -71.78 161.59 30.74 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.096 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -54.35 -47.13 72.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.599 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -52.66 -48.5 66.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.259 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.512 ' H ' HG23 ' A' ' 25' ' ' THR . 9.3 tt0 -61.26 -47.07 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.271 0.558 . . . . 0.0 110.368 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.3 m -57.82 -47.86 81.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.02 -48.79 80.17 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.47 -47.12 82.71 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.622 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD22 ' HE1' ' A' ' 65' ' ' PHE . 44.1 mt -63.25 -41.14 99.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.17 -40.28 95.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.045 0.45 . . . . 0.0 110.668 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -68.59 -45.09 72.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.292 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.16 -43.01 99.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.377 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.507 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 7.0 t80 -56.66 -53.63 55.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.98 -30.68 71.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.888 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.69 -50.74 9.52 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.404 0.621 . . . . 0.0 110.215 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -136.55 98.21 3.75 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.792 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -54.61 -33.8 61.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.534 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -124.64 144.15 50.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.641 0.734 . . . . 0.0 110.347 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 42' ' ' LEU . 2.0 mm? -121.31 155.58 34.41 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.42 -1.263 . . . . 0.0 109.56 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.72 171.28 14.21 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.045 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.4 -51.45 69.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.89 -43.36 83.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.642 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -57.74 -46.6 84.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.296 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -64.09 -41.04 97.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.47 -40.92 98.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.354 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 53' ' ' VAL . 24.7 tt0 -66.37 -50.7 62.63 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.11 -43.64 76.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.542 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.39 96.57 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.52 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -60.46 -47.96 83.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.497 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 49' ' ' GLU . 97.2 t -59.91 -32.29 49.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.347 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' A' ' 28' ' ' GLN . 94.8 mt -91.22 5.61 48.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.584 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.8 t30 60.22 38.11 20.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.839 0.828 . . . . 0.0 110.292 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.01 ' HB3' ' HG3' ' A' ' 60' ' ' GLN . 90.4 mt -130.62 -171.21 2.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.216 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.413 ' H ' ' CG ' ' A' ' 60' ' ' GLN . 5.2 p -108.94 174.73 5.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.691 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -65.92 -33.22 75.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 110.318 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -60.12 -38.48 83.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.999 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 1.01 ' HG3' ' HB3' ' A' ' 56' ' ' LEU . 6.1 mm100 -60.72 -39.96 90.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.553 . . . . 0.0 110.511 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.49 -40.5 34.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.508 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 36.8 tttt -61.43 -47.64 84.82 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.554 HG23 ' HB2' ' B' ' 183' ' ' ASP . 1.7 mp -66.99 -41.68 87.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.461 0.172 . . . . 0.0 111.39 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 46.4 t90 -61.86 -43.83 98.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.966 0.413 . . . . 0.0 110.351 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 8.1 m-85 -72.91 -28.22 62.34 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.359 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -67.37 -41.69 84.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.444 179.311 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.562 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 3.7 t-20 -61.35 -40.16 93.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.227 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 23.4 mmt180 -67.17 -35.62 80.05 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.776 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -62.82 -54.75 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.149 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.525 ' HE3' ' HA ' ' B' ' 185' ' ' LEU . 18.9 mtm -67.26 -33.76 76.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.468 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.589 ' HA ' HG13 ' B' ' 186' ' ' VAL . 13.8 ttmm -56.76 -41.58 77.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.117 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ttm -60.06 -37.19 79.14 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.177 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 19.9 mmtp -71.35 -46.41 60.56 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.82 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.78 ' HB2' HG21 ' B' ' 186' ' ' VAL . 21.9 mtpp -84.68 -41.76 15.97 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.485 ' HB2' ' O ' ' A' ' 71' ' ' LYS . 24.7 mtp -83.39 38.59 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.876 0.369 . . . . 0.0 111.59 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.53 179.11 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 58.0 t30 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 63.6 95.04 0.05 OUTLIER 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.769 0.668 . . . . 0.0 110.732 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 65.97 -91.27 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.182 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -154.17 -71.62 0.13 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.668 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -174.04 157.79 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 176' ' ' SER . . . . . 0.466 ' HB3' ' CD ' ' A' ' 19' ' ' LYS . 6.8 m -67.55 85.3 0.18 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.141 0.496 . . . . 0.0 110.235 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 177' ' ' GLU . . . . . 0.561 ' HG2' ' HD3' ' A' ' 20' ' ' LYS . 4.3 mt-10 -148.16 31.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.995 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 178' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' B' ' 178' ' ' GLU . 3.0 pm0 -110.7 3.55 19.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.8 0.81 . . . . 0.0 109.023 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 179' ' ' GLU . . . . . 0.513 ' HG2' ' HB3' ' A' ' 19' ' ' LYS . 5.1 tp10 -78.57 -176.77 5.0 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.426 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 180' ' ' THR . . . . . 0.634 HG22 HE22 ' A' ' 60' ' ' GLN . 2.2 m -129.75 -50.21 1.14 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.587 0.708 . . . . 0.0 110.658 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.659 HG21 ' HA ' ' A' ' 60' ' ' GLN . 1.7 t -127.33 96.02 3.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.056 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 182' ' ' GLU . . . . . 0.549 ' HG2' ' HA ' ' A' ' 18' ' ' ARG . 1.1 tm-20 -58.99 133.05 55.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.331 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 183' ' ' ASP . . . . . 0.94 ' HB3' ' HB ' ' A' ' 17' ' ' THR . 0.6 OUTLIER -127.46 112.82 15.4 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.218 0.532 . . . . 0.0 111.466 -178.647 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 184' ' ' SER . . . . . 0.407 ' HB3' ' H ' ' B' ' 185' ' ' LEU . 63.4 m -110.38 -154.6 0.54 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.062 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.782 ' HG ' HG23 ' B' ' 186' ' ' VAL . 51.1 tp -107.17 -69.58 0.83 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 186' ' ' VAL . . . . . 0.782 HG23 ' HG ' ' B' ' 185' ' ' LEU . 44.7 t -149.78 77.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 52.25 43.85 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.565 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.83 84.34 4.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.818 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 1.2 m -81.41 -15.32 55.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.12 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.821 -179.739 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 120.449 0.166 . . . . 0.0 110.63 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.843 ' HG2' ' HA ' ' B' ' 182' ' ' GLU . 1.7 tmm_? -161.17 84.15 0.65 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.133 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -138.35 -42.17 0.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.676 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' B' ' 182' ' ' GLU . 2.2 pptp? -123.93 136.61 54.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.517 0.199 . . . . 0.0 110.713 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.477 ' HD3' ' O ' ' B' ' 182' ' ' GLU . 0.0 OUTLIER -53.02 127.51 24.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.1 0.476 . . . . 0.0 111.432 -179.519 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 31.5 m -59.41 139.25 88.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.324 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 22' ' ' CYS . 1.7 Cg_endo -84.72 88.94 0.92 Allowed 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.536 2.824 . . . . 0.0 112.631 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.15 -179.09 4.83 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.39 156.33 21.88 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 120.749 0.309 . . . . 0.0 110.681 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.487 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 47.1 mmtt -62.5 -42.88 99.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.456 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -64.05 -36.88 85.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.848 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.892 ' HG3' HD11 ' A' ' 54' ' ' LEU . 41.4 tt0 -65.51 -40.31 92.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.433 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 7.4 m -67.25 -46.03 74.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.263 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.7 -37.97 89.37 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.441 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 16.8 tt0 -67.15 -49.9 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.0 mt -60.25 -40.2 89.45 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.157 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.663 ' HG2' ' HH2' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -61.0 -48.84 79.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.449 0.643 . . . . 0.0 109.459 178.676 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HE3' ' HB3' ' A' ' 34' ' ' LYS . 17.6 ttpp -57.67 -49.89 74.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.183 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 5.7 mm-40 -62.74 -35.79 80.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.177 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -72.13 -39.62 68.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 37' ' ' LEU . 21.0 mt -70.49 -35.98 73.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 0.0 110.891 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.14 -45.0 28.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.501 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.01 90.29 3.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.36 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 mmt -55.44 -35.44 65.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.747 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -132.79 154.64 50.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.776 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' A' ' 46' ' ' ARG . 75.3 mt -147.02 164.99 31.23 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.681 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.91 173.22 11.39 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.004 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -46.17 89.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.382 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.66 -48.71 71.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.662 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 12.7 tpt180 -61.92 -41.42 97.91 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -64.54 -42.69 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.487 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 84.6 t80 -61.97 -41.37 97.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.177 179.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 53' ' ' VAL . 9.7 tp10 -68.5 -51.8 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.557 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.5 t -54.87 -41.98 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.952 0.406 . . . . 0.0 110.626 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -40.32 87.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.566 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 17.1 ttt180 -66.3 -45.1 81.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.944 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 49' ' ' GLU . 61.7 t -62.01 -20.55 24.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.169 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.892 HD11 ' HG3' ' A' ' 28' ' ' GLN . 1.3 tp -96.43 -80.39 0.43 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.751 ' N ' ' HG ' ' A' ' 54' ' ' LEU . 59.1 t30 169.75 26.37 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.844 0.458 . . . . 0.0 110.18 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 81.2 mt -133.3 179.97 5.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 111.237 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.481 ' OG1' ' HG2' ' A' ' 60' ' ' GLN . 80.8 p -109.28 177.61 4.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.745 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 38.8 mt-10 -59.57 -43.62 93.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.072 0.463 . . . . 0.0 110.413 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.787 ' HD3' HG22 ' B' ' 180' ' ' THR . 7.8 tmm_? -65.74 -36.56 83.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.414 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.625 ' HB2' ' HB3' ' A' ' 56' ' ' LEU . 14.9 mm100 -65.77 -39.25 90.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 0.0 110.643 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.7 t -77.74 -37.99 24.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -60.68 -46.01 91.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.922 -178.805 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.1 mt -71.66 -34.61 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.696 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.663 ' HH2' ' HG2' ' A' ' 33' ' ' GLU . 28.0 t90 -64.09 -46.6 83.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -64.08 -35.39 80.6 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -46.56 51.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.895 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.618 ' ND2' ' HB2' ' B' ' 183' ' ' ASP . 2.0 t-20 -61.28 -42.13 98.13 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.674 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -54.53 -39.86 68.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.304 0.573 . . . . 0.0 110.009 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -74.39 -41.17 61.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.791 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 tpt -68.66 -41.57 79.11 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.568 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.649 ' HA ' ' HG2' ' A' ' 74' ' ' LYS . 22.4 mtpp -59.21 -25.66 64.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.339 0.59 . . . . 0.0 110.747 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.549 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 5.8 ttp -82.09 -52.07 7.37 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.258 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -66.15 -24.72 66.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.521 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.649 ' HG2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -68.35 -21.21 64.74 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.578 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 38.4 tpp -171.18 94.78 0.18 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.549 ' HB2' ' O ' ' A' ' 72' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.404 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 171' ' ' ASN . . . . . 0.505 ' N ' HD21 ' B' ' 171' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -144.47 28.06 1.35 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 110.439 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -76.98 96.03 4.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.115 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 174' ' ' PHE . . . . . 0.472 ' O ' ' HB3' ' B' ' 175' ' ' ASP . 59.2 t80 -70.36 -16.89 63.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.496 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 175' ' ' ASP . . . . . 0.472 ' HB3' ' O ' ' B' ' 174' ' ' PHE . 3.6 t70 74.35 134.64 0.05 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.913 0.758 . . . . 0.0 111.143 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 11.4 m 60.65 23.1 12.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.473 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 177' ' ' GLU . . . . . 0.423 ' HG3' ' HG3' ' B' ' 178' ' ' GLU . 12.9 pt-20 -96.5 -2.39 45.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.897 0.856 . . . . 0.0 108.944 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 178' ' ' GLU . . . . . 0.423 ' HG3' ' HG3' ' B' ' 177' ' ' GLU . 0.9 OUTLIER -120.95 18.44 11.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.044 -1.434 . . . . 0.0 107.948 178.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 179' ' ' GLU . . . . . 0.706 ' HG3' ' H ' ' B' ' 180' ' ' THR . 5.9 tp10 -64.33 -177.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.559 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 180' ' ' THR . . . . . 0.787 HG22 ' HD3' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -151.09 160.9 43.61 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.595 ' CG2' ' HA ' ' A' ' 60' ' ' GLN . 1.8 t -75.04 81.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 182' ' ' GLU . . . . . 0.843 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 28.3 mt-10 -45.26 110.97 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.058 0.848 . . . . 0.0 110.85 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 183' ' ' ASP . . . . . 0.618 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 4.9 p-10 -96.32 128.24 43.05 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.747 0.784 . . . . 0.0 110.105 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 184' ' ' SER . . . . . 0.433 ' HB2' ' HG3' ' B' ' 187' ' ' GLU . 0.6 OUTLIER -78.14 154.87 30.85 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.956 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.645 ' HG ' HG23 ' B' ' 186' ' ' VAL . 21.8 tp -87.91 -83.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.291 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 186' ' ' VAL . . . . . 0.645 HG23 ' HG ' ' B' ' 185' ' ' LEU . 41.4 t -127.36 88.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.366 0.603 . . . . 0.0 110.386 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 187' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' B' ' 184' ' ' SER . 0.0 OUTLIER -88.16 -39.34 14.6 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.631 179.596 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.52 ' OD1' ' HG2' ' A' ' 75' ' ' MET . 20.1 t0 65.46 31.29 10.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.948 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.33 -5.69 55.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.419 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.214 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.989 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 121.103 0.478 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 147.15 39.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.106 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' B' ' 184' ' ' SER . 5.9 tptp -101.13 13.95 33.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.676 0.751 . . . . 0.0 109.57 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -127.44 160.99 29.78 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.23 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.524 ' HG3' HG13 ' B' ' 181' ' ' VAL . 1.4 ttp180 -70.13 161.78 29.54 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.903 ' HB3' ' HA ' ' B' ' 178' ' ' GLU . 0.5 OUTLIER -53.27 148.45 16.0 Favored Pre-proline 0 C--O 1.238 0.474 0 O-C-N 123.326 0.391 . . . . 0.0 111.227 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.7 116.1 2.77 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.043 2.496 . . . . 0.0 112.201 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -95.64 133.93 39.12 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.904 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.18 162.66 27.79 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.039 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.607 ' HE3' HD11 ' A' ' 30' ' ' LEU . 44.8 tttp -59.28 -47.48 85.22 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.62 -44.88 93.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.348 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.531 ' HG3' HD22 ' A' ' 54' ' ' LEU . 8.4 tt0 -61.35 -48.53 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.191 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.2 m -57.99 -44.42 87.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.972 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.607 HD11 ' HE3' ' A' ' 26' ' ' LYS . 94.1 mt -61.3 -40.66 94.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.556 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.1 -47.67 76.4 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.527 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 3.8 mm? -61.31 -42.82 99.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.053 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' CD ' HH21 ' A' ' 68' ' ' ARG . 4.8 mm-40 -61.58 -48.04 82.76 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.321 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -55.3 -42.07 73.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.859 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -71.32 -49.92 37.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -62.46 -32.18 73.02 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 mt -71.68 -37.85 70.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.093 0.473 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -46.2 16.64 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.7 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.31 105.28 4.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.9 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.4 mtt -61.21 -11.9 11.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.184 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -135.36 159.39 41.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.156 0.503 . . . . 0.0 109.869 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD22 ' HG2' ' A' ' 46' ' ' ARG . 38.5 mt -133.47 154.1 51.08 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.344 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 1.6 p -79.65 176.44 9.71 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.057 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . 7.3 mmt180 -62.84 -48.69 77.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.926 0.393 . . . . 0.0 110.766 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.3 -47.44 76.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.458 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HG2' HD22 ' A' ' 42' ' ' LEU . 41.5 ttt180 -62.23 -41.01 98.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.394 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.592 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 15.6 ttm180 -61.99 -44.95 95.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.856 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -66.65 -39.79 88.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.977 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.5 tp10 -67.33 -50.61 59.34 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.524 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.92 -44.44 82.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.6 93.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.667 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.9 -50.12 75.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.069 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 49' ' ' GLU . 92.5 t -57.49 -31.05 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.246 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.531 HD22 ' HG3' ' A' ' 28' ' ' GLN . 55.6 mt -90.67 2.18 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.421 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.0 t30 60.84 37.47 18.57 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.96 0.886 . . . . 0.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 60' ' ' GLN . 69.3 mt -135.77 -179.27 5.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.432 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -100.49 177.37 5.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.592 ' HB3' ' HD2' ' A' ' 47' ' ' ARG . 13.0 mt-10 -64.79 -29.3 70.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.255 -177.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.434 HH11 HG23 ' B' ' 181' ' ' VAL . 6.6 ttm105 -61.82 -37.26 83.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.073 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.427 ' HG2' HD22 ' A' ' 56' ' ' LEU . 18.4 mp0 -65.62 -37.99 88.16 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.855 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.9 t -77.06 -48.55 24.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.763 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.477 ' HE2' ' HB3' ' A' ' 62' ' ' LYS . 10.6 ttpt -58.34 -47.22 84.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.878 -178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.596 HD12 ' HB ' ' B' ' 181' ' ' VAL . 75.2 mt -72.79 -33.54 44.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.651 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.527 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 25.9 t90 -64.64 -40.46 95.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -61.68 -40.31 94.51 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.582 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -36.64 69.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.426 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.479 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 1.2 m-20 -61.36 -47.51 85.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.837 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.405 HH21 ' CD ' ' A' ' 33' ' ' GLU . 16.8 tpt180 -64.36 -38.73 92.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.081 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 69' ' ' ARG . 20.0 tpt85 -65.27 -41.31 94.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.193 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.632 ' HB2' HG21 ' B' ' 186' ' ' VAL . 73.0 mtm -69.92 -34.33 73.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.036 0.446 . . . . 0.0 109.807 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.701 ' HA ' HG13 ' B' ' 186' ' ' VAL . 3.5 tmtm? -64.06 -28.28 69.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.221 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.7 ttt -61.82 -41.75 98.16 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.554 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 70' ' ' MET . 0.1 OUTLIER -88.7 -55.59 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.158 -0.928 . . . . 0.0 113.055 -178.597 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' CB ' HG12 ' B' ' 186' ' ' VAL . 10.3 mtmt -78.28 -74.31 0.28 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.713 ' HA ' ' HB3' ' B' ' 188' ' ' ASP . 35.2 ttp -79.18 58.31 2.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.502 0.668 . . . . 0.0 110.552 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 . . . . . 0 C--O 1.251 1.184 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.514 -179.281 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 64.46 -165.13 0.24 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.451 0.469 . . . . 0.0 110.546 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 173' ' ' GLU . . . . . 0.52 ' HB2' ' HG2' ' B' ' 177' ' ' GLU . 2.0 pm0 -99.91 68.11 1.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.287 0.565 . . . . 0.0 110.991 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -97.1 -22.0 17.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.329 0.585 . . . . 0.0 110.387 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -130.96 144.31 51.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.184 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 44.0 m 66.28 19.03 11.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.26 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 177' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' B' ' 173' ' ' GLU . 0.9 OUTLIER -113.86 13.83 18.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.469 0.652 . . . . 0.0 110.548 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 178' ' ' GLU . . . . . 0.903 ' HA ' ' HB3' ' A' ' 22' ' ' CYS . 45.9 mt-10 -109.91 -4.8 15.75 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -97.45 -22.72 16.42 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.933 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 180' ' ' THR . . . . . . . . . . . . . 3.7 m -73.19 132.47 43.24 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.358 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.596 ' HB ' HD12 ' A' ' 63' ' ' ILE . 1.8 t -122.57 72.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 182' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.59 131.45 43.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.365 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 183' ' ' ASP . . . . . 0.402 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 8.9 p-10 -95.93 13.05 28.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.59 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 184' ' ' SER . . . . . 0.513 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 4.6 m -92.47 28.79 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.693 0.759 . . . . 0.0 109.888 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.87 -16.75 43.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.1 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 186' ' ' VAL . . . . . 0.701 HG13 ' HA ' ' A' ' 71' ' ' LYS . 4.4 t -100.04 68.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.445 -178.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -106.83 77.69 1.19 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.049 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.713 ' HB3' ' HA ' ' A' ' 75' ' ' MET . 14.7 t0 -144.42 115.44 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.055 0.455 . . . . 0.0 110.373 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 4.3 m -104.05 -58.41 1.88 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.195 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.887 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.528 ' OG1' ' HB3' ' A' ' 21' ' ' ARG . 17.1 p . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.492 0.187 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.424 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 7.3 tpm_? -69.94 -24.71 63.4 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.696 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.547 ' HG3' ' HB3' ' B' ' 176' ' ' SER . 23.1 tttm -169.01 -67.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 110.85 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' B' ' 183' ' ' ASP . 35.4 mtmt -106.34 120.85 42.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.907 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' B' ' 180' ' ' THR . 0.0 OUTLIER -132.99 149.57 52.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.542 179.148 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.8 OUTLIER -122.1 133.96 24.56 Favored Pre-proline 0 C--N 1.316 -0.873 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.426 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.715 ' HG2' ' HG ' ' A' ' 56' ' ' LEU . 78.1 Cg_endo -97.75 17.38 0.55 Allowed 'Trans proline' 0 N--CA 1.45 -1.038 0 C-N-CA 122.69 2.26 . . . . 0.0 112.833 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.672 ' HD2' HD21 ' A' ' 56' ' ' LEU . 12.9 p90 -122.4 141.16 51.88 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.593 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 p -89.22 173.1 8.59 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.634 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 68.1 mmtt -58.78 -41.65 87.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.106 0.412 . . . . 0.0 110.553 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -61.3 -44.96 96.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.307 0.575 . . . . 0.0 109.855 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -66.15 -33.57 76.07 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.589 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -67.84 -41.07 83.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 26' ' ' LYS . 85.8 mt -61.93 -41.95 98.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.523 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 13.2 tt0 -66.28 -42.39 88.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.795 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 13.8 mt -60.35 -40.05 89.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.11 178.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.87 -45.33 94.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.811 0.815 . . . . 0.0 109.866 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -58.79 -35.11 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.422 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 5.6 mm-40 -76.91 -40.04 48.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.969 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.597 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 8.1 t80 -56.88 -51.19 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.234 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.86 -42.96 99.95 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.707 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.41 -49.67 72.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.21 91.31 2.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.49 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -69.64 -28.83 66.23 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 110.493 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 131.24 35.42 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.399 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.43 ' HG ' ' HD2' ' A' ' 46' ' ' ARG . 5.1 mp -135.64 169.88 16.85 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-O 121.149 0.499 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.471 ' H ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -118.88 175.94 5.51 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.165 179.299 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -47.94 82.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 0.0 110.769 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.58 -50.36 65.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.789 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HB3' ' H ' ' A' ' 43' ' ' THR . 36.0 ttm180 -57.89 -41.4 82.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.05 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -63.33 -46.12 88.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.234 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -68.55 -34.75 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.592 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.52 -53.87 24.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.163 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.04 -40.28 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -60.12 -49.63 76.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.189 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' A' ' 52' ' ' ARG . 9.5 tpt180 -66.23 -40.56 90.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.759 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.4 t -54.62 -38.73 43.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.418 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.5 mt -94.42 -91.5 0.2 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.588 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -177.09 34.85 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.715 ' HG ' ' HG2' ' A' ' 23' ' ' PRO . 6.3 mp -124.17 -178.74 4.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.919 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.688 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 71.2 p -112.09 174.03 6.08 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 1.7 mp0 -61.32 -37.51 83.53 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -72.53 -41.86 65.39 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.799 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.688 ' HB2' ' H ' ' A' ' 57' ' ' THR . 36.6 mt-30 -62.15 -38.54 89.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.848 0.356 . . . . 0.0 110.549 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.7 t -77.32 -41.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.048 0.452 . . . . 0.0 110.531 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 11.8 ttpt -60.34 -46.92 88.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.479 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -65.09 -44.68 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.461 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.449 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 85.7 t90 -62.71 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.089 0.471 . . . . 0.0 109.784 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 1.2 m-85 -63.48 -39.86 95.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.17 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -71.15 -38.5 72.22 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.218 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.48 ' HB3' HD23 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -63.56 -45.96 88.09 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.482 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.488 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 9.2 mmm180 -61.38 -39.11 89.46 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.332 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.8 -43.03 69.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.428 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 66.2 mtm -63.25 -32.38 73.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.952 0.406 . . . . 0.0 110.585 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.695 ' HA ' HG13 ' B' ' 186' ' ' VAL . 3.3 tmtm? -68.44 -26.37 65.48 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.171 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.3 ttm -76.66 -39.76 51.22 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.269 0.557 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 73' ' ' LYS . 3.3 mtmt -87.97 -48.6 7.65 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.177 -0.919 . . . . 0.0 113.288 -178.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -84.41 -45.05 13.11 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.008 0.374 . . . . 0.0 112.008 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.959 ' HG2' ' HB3' ' B' ' 188' ' ' ASP . 11.2 mtp -82.28 57.99 3.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.332 0.587 . . . . 0.0 110.18 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.384 -179.315 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -136.08 30.29 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.547 0.689 . . . . 0.0 109.593 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -100.27 34.04 2.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.698 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -71.06 -66.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.447 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.5 -168.24 1.94 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.275 0.56 . . . . 0.0 110.975 -178.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 176' ' ' SER . . . . . 0.547 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . 16.7 m -104.0 120.47 41.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.849 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -160.44 44.42 0.2 Allowed 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.314 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.18 -5.9 9.94 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.783 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.4 -177.73 3.43 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.249 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 180' ' ' THR . . . . . 0.622 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -165.29 -68.96 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.472 0.653 . . . . 0.0 110.4 179.205 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 16.3 t -73.1 99.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.794 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 182' ' ' GLU . . . . . 0.414 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 11.1 tt0 -33.51 108.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.953 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 183' ' ' ASP . . . . . 0.447 ' H ' ' HG2' ' A' ' 20' ' ' LYS . 5.1 t70 -99.64 -144.39 0.33 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.55 -1.205 . . . . 0.0 107.952 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 3.5 m 61.62 32.9 18.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.131 0.491 . . . . 0.0 111.412 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 67' ' ' ASN . 52.9 tp -91.42 -28.3 17.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 186' ' ' VAL . . . . . 0.695 HG13 ' HA ' ' A' ' 71' ' ' LYS . 2.3 t -104.83 74.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.719 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -83.05 -32.11 27.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.219 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.959 ' HB3' ' HG2' ' A' ' 75' ' ' MET . 21.2 t70 -74.42 94.37 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 2.8 m -101.46 -48.58 4.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.135 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.446 -179.652 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.654 ' HB ' ' H ' ' B' ' 183' ' ' ASP . 17.7 m . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 121.014 0.435 . . . . 0.0 110.752 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -86.92 -8.54 57.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.117 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -70.73 -13.32 62.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.91 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.575 ' HA ' ' HG3' ' B' ' 182' ' ' GLU . 4.0 mtmp? 68.93 166.8 0.27 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.644 0.59 . . . . 0.0 111.949 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.572 ' N ' ' HB2' ' B' ' 182' ' ' GLU . 0.0 OUTLIER -91.94 167.51 12.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.992 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' B' ' 179' ' ' GLU . 16.1 m -60.52 154.76 53.44 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.673 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.88 89.04 0.18 Allowed 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.842 2.362 . . . . 0.0 112.874 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' HD2' HH21 ' A' ' 21' ' ' ARG . 0.3 OUTLIER -78.98 137.28 37.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.724 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.734 HG23 ' H ' ' A' ' 28' ' ' GLN . 10.3 t -73.04 159.42 33.65 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.857 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -57.48 -40.91 79.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.746 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -58.28 -48.53 80.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 110.934 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.734 ' H ' HG23 ' A' ' 25' ' ' THR . 49.6 tt0 -63.0 -44.51 95.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.273 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.695 ' HA ' ' CH2' ' A' ' 64' ' ' TRP . 21.8 m -60.84 -50.09 74.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.068 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.13 -36.46 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.384 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -63.54 -51.03 67.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.688 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.608 HD12 ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -68.6 -44.82 73.49 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.953 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' THR . 6.8 mt-10 -57.21 -39.23 75.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.648 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.88 -44.55 95.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.43 -33.09 74.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.55 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 57.4 t80 -71.73 -39.35 70.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.36 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.8 mt -68.53 -35.33 77.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.364 0.602 . . . . 0.0 110.199 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -73.08 -51.79 16.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.3 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.35 90.31 2.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.071 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.6 mtt -62.86 -35.39 79.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.399 0.618 . . . . 0.0 109.996 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.65 131.29 42.05 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.334 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.579 HD22 ' HG2' ' A' ' 46' ' ' ARG . 15.3 mt -143.91 176.58 9.16 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.342 0.592 . . . . 0.0 110.633 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.8 157.74 16.75 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.793 178.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -59.16 -46.73 87.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.937 0.399 . . . . 0.0 110.469 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.57 -44.4 97.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.176 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.579 ' HG2' HD22 ' A' ' 42' ' ' LEU . 26.4 tpt180 -64.21 -41.64 96.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.776 179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -63.97 -41.24 97.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.982 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 20.1 t80 -65.03 -38.78 92.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 53' ' ' VAL . 39.6 tt0 -64.51 -54.03 38.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.103 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.7 t -55.33 -41.8 63.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.986 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB2' HG21 ' A' ' 61' ' ' VAL . . . -66.12 -42.46 89.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.851 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 52' ' ' ARG . 2.2 ttt180 -65.72 -39.77 91.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.364 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 49' ' ' GLU . 25.4 t -50.4 -39.48 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.744 178.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.6 mt -91.71 -84.53 0.26 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 t30 178.99 18.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.503 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.722 ' HB3' ' HG2' ' A' ' 60' ' ' GLN . 1.2 mm? -106.53 177.45 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.096 0.474 . . . . 0.0 111.405 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.85 178.56 4.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.233 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.56 -44.13 97.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.508 . . . . 0.0 110.723 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' O ' HG12 ' A' ' 63' ' ' ILE . 22.7 ttt180 -60.48 -39.13 86.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.162 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.722 ' HG2' ' HB3' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -67.7 -37.48 82.32 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.499 -178.438 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.539 HG21 ' HB2' ' A' ' 51' ' ' ALA . 54.9 t -75.7 -36.97 35.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.956 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -64.09 -48.43 76.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.344 0.592 . . . . 0.0 110.689 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.493 ' HB ' ' CG1' ' B' ' 181' ' ' VAL . 45.6 mm -71.54 -37.05 62.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.842 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.695 ' CH2' ' HA ' ' A' ' 29' ' ' THR . 6.7 t90 -61.08 -43.25 99.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 110.48 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 15.1 m-30 -73.87 -29.44 62.09 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 121.39 0.614 . . . . 0.0 110.567 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -33.89 76.12 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.78 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.605 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 3.8 t-20 -60.32 -39.4 86.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.052 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -59.25 -41.86 89.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.18 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -73.55 -38.73 65.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.579 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.541 ' HG2' ' HA ' ' A' ' 67' ' ' ASN . 2.5 ptm -62.44 -28.84 70.08 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 67' ' ' ASN . 4.7 mmmm -65.47 -29.66 70.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.337 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.9 ttp -80.05 -48.72 12.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.149 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -71.07 -14.69 62.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.007 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 1.008 ' HB2' ' HB ' ' B' ' 186' ' ' VAL . 13.3 pttt -49.14 -30.99 7.42 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.014 0.435 . . . . 0.0 111.812 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.746 ' HG3' ' HA ' ' B' ' 190' ' ' GLU . 23.1 ttm -155.29 75.93 0.96 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.54 -179.524 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.868 0.366 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.07 141.54 46.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -95.38 74.75 3.33 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -115.41 -4.24 12.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.036 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -148.15 27.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.575 0.702 . . . . 0.0 109.945 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 1.2 m -132.27 22.76 4.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.678 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -159.87 28.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.63 27.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.258 0.551 . . . . 0.0 110.512 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 179' ' ' GLU . . . . . 0.614 ' HB2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -89.15 -173.44 4.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.995 179.348 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 180' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.82 153.23 21.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.366 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.493 ' CG1' ' HB ' ' A' ' 63' ' ' ILE . 24.4 t -74.98 97.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.599 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 182' ' ' GLU . . . . . 0.575 ' HG3' ' HA ' ' A' ' 20' ' ' LYS . 44.4 tt0 -38.74 117.01 0.61 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.38 -1.282 . . . . 0.0 112.102 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 183' ' ' ASP . . . . . 0.654 ' H ' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -151.61 152.22 32.58 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.441 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 22.0 m 71.04 135.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.977 0.798 . . . . 0.0 111.217 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 22.9 tp -165.13 -65.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.374 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 186' ' ' VAL . . . . . 1.008 ' HB ' ' HB2' ' A' ' 74' ' ' LYS . 1.9 t -130.32 87.57 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -79.48 64.74 4.45 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.116 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 25.2 t0 58.48 33.55 23.2 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.714 0.769 . . . . 0.0 110.386 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 5.1 m -79.71 -10.7 59.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.354 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 190' ' ' GLU . . . . . 0.746 ' HA ' ' HG3' ' A' ' 75' ' ' MET . 4.2 tt0 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.404 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.317 0.103 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -61.31 -49.69 76.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.586 0.231 . . . . 0.0 110.442 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -56.05 -45.04 79.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.375 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -64.2 -50.09 69.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 m -61.29 -44.06 97.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.328 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.88 -46.6 89.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.41 -50.25 73.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.829 0.347 . . . . 0.0 110.53 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.75 -38.08 86.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -49.71 67.41 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.224 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 44.3 tttp -65.42 -43.34 90.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -61.47 -44.43 97.11 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.124 0.265 . . . . 0.0 111.541 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.5 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 52.2 t80 -70.21 -39.79 74.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 0.0 111.239 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.47 -39.82 85.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -75.87 -49.37 18.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.922 -179.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -124.6 96.01 4.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.23 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.2 mtm -59.27 -23.53 62.46 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -128.81 148.72 50.9 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.417 0.627 . . . . 0.0 110.117 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.555 HD13 ' HE2' ' A' ' 65' ' ' PHE . 6.4 mp -134.8 167.54 20.69 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.346 -178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 p -96.59 170.57 9.11 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.907 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -60.79 -51.46 69.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.998 0.428 . . . . 0.0 111.379 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.81 -42.75 94.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.696 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -62.99 -42.44 99.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.102 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -64.32 -41.36 96.85 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 58' ' ' GLU . 81.9 t80 -64.88 -37.99 89.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.909 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.09 -51.0 62.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.067 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.2 t -56.03 -44.91 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.742 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.22 -42.06 99.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.543 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -61.98 -46.95 87.01 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.163 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.77 -36.4 65.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.568 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.38 3.13 37.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.008 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 57.13 37.95 28.77 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.732 0.777 . . . . 0.0 110.865 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mt -135.79 -174.88 3.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.087 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.7 p -88.19 164.23 15.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.579 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 48' ' ' TYR . 43.4 mt-10 -64.6 -30.06 71.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -58.66 -35.89 73.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.508 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -60.04 -41.58 92.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.019 0.438 . . . . 0.0 110.289 -179.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.472 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 29.8 t -76.31 -46.17 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.653 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -56.36 -47.1 79.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.733 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 48.1 mm -75.52 -33.75 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.076 -179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.428 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 10.4 t90 -62.42 -42.72 99.65 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.555 ' HE2' HD13 ' A' ' 42' ' ' LEU . 13.7 m-30 -66.17 -39.72 89.95 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.084 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.428 ' OE1' ' HD2' ' A' ' 69' ' ' ARG . 2.1 mp0 -72.06 -37.08 69.72 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.284 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 63' ' ' ILE . 1.9 t-20 -62.24 -35.63 79.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.772 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 68' ' ' ARG . 12.6 tpt180 -64.51 -44.46 90.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.76 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.428 ' HD2' ' OE1' ' A' ' 66' ' ' GLN . 61.9 mtt85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.56 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 121.074 0.464 . . . . 0.0 112.123 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.05 -42.0 89.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.231 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -56.19 -48.98 75.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.292 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.548 HE22 HD13 ' A' ' 54' ' ' LEU . 63.5 tp60 -61.32 -45.14 95.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.278 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.491 HG23 ' HZ2' ' A' ' 64' ' ' TRP . 12.9 m -62.13 -49.33 76.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.479 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -64.07 -36.17 83.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.704 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.505 ' HG2' HD21 ' A' ' 54' ' ' LEU . 6.6 tp10 -66.26 -50.01 65.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.95 -41.03 95.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.286 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.624 ' HG2' ' HH2' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -62.65 -47.1 85.15 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.302 179.319 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -57.51 -39.38 76.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.651 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -70.42 -45.6 65.58 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -57.24 -32.97 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.54 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.78 -41.8 43.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.334 0.588 . . . . 0.0 110.45 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.45 -49.99 42.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.15 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -128.66 97.47 4.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.28 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 39.9 mtt -69.5 -30.4 68.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.507 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -108.59 152.3 24.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.024 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.9 mt -145.34 170.16 16.86 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.244 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.84 171.32 7.6 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.336 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -62.86 -52.74 61.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.789 0.328 . . . . 0.0 111.252 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.96 -42.63 97.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.999 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -62.88 -42.3 99.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.382 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -62.12 -45.26 94.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 75.3 t80 -65.09 -37.96 89.18 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 53' ' ' VAL . 15.9 tp10 -65.63 -52.55 51.02 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.141 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.6 t -55.21 -43.3 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.184 0.516 . . . . 0.0 109.76 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.415 ' HB1' ' C ' ' A' ' 56' ' ' LEU . . . -63.48 -43.57 96.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.992 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -68.24 -39.05 82.39 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.861 -179.463 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 49' ' ' GLU . 33.2 t -59.23 -31.6 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.195 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.548 HD13 HE22 ' A' ' 28' ' ' GLN . 39.1 mt -97.9 -93.53 0.23 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -176.32 43.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 84.3 mt -134.04 -173.85 3.37 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.827 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.587 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -124.53 178.27 5.5 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -60.05 -43.89 95.07 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 121.152 -0.219 . . . . 0.0 110.867 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.2 ttm105 -68.08 -36.47 79.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.462 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.587 ' HB2' ' H ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -64.24 -38.25 90.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.41 -179.315 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.4 t -77.17 -43.03 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 3.6 tmtp? -59.88 -46.37 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.296 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.6 mt -69.46 -37.61 75.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.959 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.624 ' HH2' ' HG2' ' A' ' 33' ' ' GLU . 30.6 t90 -62.02 -49.33 76.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.939 0.4 . . . . 0.0 110.195 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -66.4 -33.86 76.65 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.325 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -73.28 -45.07 57.84 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.217 -179.736 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -64.75 -48.81 73.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.287 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -34.46 75.94 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.829 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 179.797 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.612 HG23 ' H ' ' A' ' 28' ' ' GLN . 14.5 t . . . . . 0 C--O 1.235 0.341 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HD3' ' HB ' ' A' ' 29' ' ' THR . 1.4 tppp? -59.65 -35.44 74.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.51 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -56.77 -46.46 81.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 109.813 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.612 ' H ' HG23 ' A' ' 25' ' ' THR . 7.3 tp60 -69.77 -37.32 76.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.489 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.531 ' HA ' ' CZ2' ' A' ' 64' ' ' TRP . 21.5 m -61.34 -50.11 74.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.194 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 26' ' ' LYS . 91.3 mt -58.32 -50.02 75.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.727 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.744 ' HG2' HD21 ' A' ' 54' ' ' LEU . 30.9 tp10 -62.94 -47.38 83.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.537 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.44 -41.67 98.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.622 0.249 . . . . 0.0 111.076 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.97 -39.86 87.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 120.939 0.399 . . . . 0.0 110.048 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -61.24 -47.6 85.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.377 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.95 -40.24 94.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.43 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 70.0 t80 -65.69 -38.7 89.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.243 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.92 -41.54 82.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.167 0.508 . . . . 0.0 110.633 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -70.82 -51.62 25.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.381 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.73 92.39 3.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.658 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 44.5 mtm -57.9 -30.28 65.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.943 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -123.94 147.82 47.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.472 0.653 . . . . 0.0 110.083 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.3 mt -140.22 165.19 28.06 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.832 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 167.39 14.69 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.689 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -47.2 86.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 0.0 110.748 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.05 -48.44 71.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.395 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -62.27 -40.65 96.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.669 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.546 ' NH1' ' HG3' ' A' ' 62' ' ' LYS . 53.9 ttp180 -62.71 -42.24 99.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.229 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.05 -37.14 78.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.029 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 53' ' ' VAL . 4.2 tp10 -62.87 -52.65 62.29 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.5 t -55.72 -44.55 77.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.609 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.68 -44.21 96.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.15 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -65.18 -46.95 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.158 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 49' ' ' GLU . 75.0 t -58.57 -27.64 34.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.744 HD21 ' HG2' ' A' ' 31' ' ' GLU . 79.3 mt -94.13 -91.33 0.2 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.837 0.351 . . . . 0.0 110.487 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -179.44 33.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.329 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.516 ' HB3' ' CB ' ' A' ' 60' ' ' GLN . 56.5 mt -125.86 -173.81 2.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.421 0.629 . . . . 0.0 111.656 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.775 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 41.9 p -121.16 -179.33 4.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.584 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -62.65 -43.36 99.01 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.73 -0.388 . . . . 0.0 109.962 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -68.83 -37.72 79.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.775 ' HB2' ' H ' ' A' ' 57' ' ' THR . 30.4 mm-40 -60.06 -41.15 91.74 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.333 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.1 t -77.34 -40.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.546 ' HG3' ' NH1' ' A' ' 47' ' ' ARG . 20.4 tttt -59.18 -47.61 84.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.088 0.47 . . . . 0.0 110.716 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.4 mm -67.07 -34.41 69.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.442 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.531 ' CZ2' ' HA ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -64.25 -45.74 86.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.216 0.531 . . . . 0.0 109.64 179.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.75 -37.91 82.77 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.522 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -41.28 92.84 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.069 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -66.47 -44.19 83.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.524 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.508 ' HG2' ' HZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -58.74 -35.47 72.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.968 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.426 179.364 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 45.0 mmtm -56.18 -48.49 76.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.411 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -60.75 -44.44 96.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 110.141 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -58.06 -43.68 87.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -66.45 -43.96 84.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.636 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.0 mt -59.01 -42.0 89.04 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.008 0.432 . . . . 0.0 111.125 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.71 -45.08 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD22 HG13 ' A' ' 61' ' ' VAL . 54.8 mt -65.95 -41.12 91.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 6.4 mt-10 -64.75 -36.85 85.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.055 0.455 . . . . 0.0 110.884 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -61.36 -49.57 76.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.637 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' HG3' ' HZ ' ' A' ' 65' ' ' PHE . 7.1 pt-20 -74.33 -33.13 63.07 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.655 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 9.5 t80 -53.75 -54.05 43.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.435 0.636 . . . . 0.0 110.697 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.1 mt -65.88 -36.98 84.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.56 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -62.67 -50.51 70.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.558 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -152.39 105.72 3.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.54 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.528 ' HG2' ' CE1' ' A' ' 36' ' ' PHE . 31.5 mtm -61.42 -30.01 70.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.424 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -117.78 149.29 41.04 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.466 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.625 ' HG ' ' N ' ' A' ' 43' ' ' THR . 25.5 tp -150.35 169.8 20.55 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.286 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.625 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -75.02 156.64 35.99 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.895 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -63.1 -51.03 68.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.652 0.263 . . . . 0.0 110.664 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.44 -45.76 80.63 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HD3' ' HA ' ' A' ' 46' ' ' ARG . 8.7 tpp180 -64.92 -36.88 85.81 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.114 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -65.58 -48.14 73.34 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CD1' ' HG2' ' A' ' 58' ' ' GLU . 2.5 m-85 -58.04 -37.24 74.0 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 53' ' ' VAL . 16.7 tt0 -69.88 -49.46 52.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.695 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -55.21 -42.65 67.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.104 0.478 . . . . 0.0 110.219 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.48 98.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.611 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -42.87 79.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.663 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 49' ' ' GLU . 41.7 t -54.35 -33.09 25.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.952 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 43.8 mt -91.37 -92.04 0.15 Allowed 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.257 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.8 t30 177.65 29.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.209 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 83.5 mt -126.59 171.84 10.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.174 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.421 ' OG1' ' HG3' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -89.3 168.88 11.9 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.659 ' HG2' ' CD1' ' A' ' 48' ' ' TYR . 36.9 mp0 -61.78 -38.39 87.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.692 0.282 . . . . 0.0 110.632 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.484 ' HG2' HG12 ' A' ' 63' ' ' ILE . 19.6 ttt180 -65.96 -35.02 79.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.766 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 56' ' ' LEU . 3.2 mt-30 -58.63 -40.52 83.6 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.962 0.41 . . . . 0.0 110.883 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.474 HG13 HD22 ' A' ' 32' ' ' LEU . 19.7 t -76.27 -46.0 33.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.572 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.475 ' HE2' ' HB3' ' A' ' 62' ' ' LYS . 5.2 ttpt -61.12 -46.07 92.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.57 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.484 HG12 ' HG2' ' A' ' 59' ' ' ARG . 29.9 mm -64.31 -34.02 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.539 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.432 ' HZ3' ' HB2' ' A' ' 36' ' ' PHE . 80.7 t90 -64.63 -41.88 95.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 6.1 m-85 -65.14 -42.58 93.69 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.84 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -39.71 84.74 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.868 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -65.62 -52.38 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.285 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -62.93 -36.06 82.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.092 -179.415 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.961 0.41 . . . . 0.0 110.241 179.378 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -55.3 -45.03 76.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.955 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -59.08 -43.07 91.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.635 0.255 . . . . 0.0 111.129 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.714 ' HG3' HD22 ' A' ' 54' ' ' LEU . 9.9 tt0 -65.24 -52.12 56.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.277 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -57.62 -43.21 84.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.64 -35.25 77.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.645 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.61 -47.01 64.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD21 HD13 ' A' ' 54' ' ' LEU . 3.1 mm? -58.9 -45.65 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.47 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.96 -44.64 95.49 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.078 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -59.67 -44.46 93.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.945 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -66.75 -45.17 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 36.0 t80 -64.52 -35.45 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.337 . . . . 0.0 111.474 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.56 -31.05 63.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.401 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -82.6 -53.26 6.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.469 0.652 . . . . 0.0 110.492 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -133.32 99.84 4.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.365 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.6 mtt -59.43 -24.44 63.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.0 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -129.25 143.13 50.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.425 0.631 . . . . 0.0 110.281 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 42' ' ' LEU . 2.3 mm? -126.8 164.0 22.33 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.833 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.35 170.89 14.08 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.478 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -49.52 77.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.24 -46.4 83.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.214 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -59.29 -44.06 92.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.605 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -64.69 -44.73 89.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.563 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 76.4 t80 -64.09 -36.37 83.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.445 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -69.74 -49.27 54.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.321 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.1 t -59.44 -44.44 92.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.48 93.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.396 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -63.22 -48.32 78.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.387 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 49' ' ' GLU . 95.9 t -59.98 -38.12 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.044 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.714 HD22 ' HG3' ' A' ' 28' ' ' GLN . 18.8 mt -83.84 -2.14 55.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.264 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 t30 60.86 39.84 16.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.969 0.89 . . . . 0.0 109.969 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.585 HD22 ' HG3' ' A' ' 60' ' ' GLN . 64.4 mt -124.37 -177.17 3.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.97 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.418 ' OG1' ' HG2' ' A' ' 60' ' ' GLN . 3.0 p -99.96 164.8 11.84 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.572 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -61.85 -35.46 78.35 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -64.14 -35.65 81.47 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.585 ' HG3' HD22 ' A' ' 56' ' ' LEU . 62.0 mm-40 -59.9 -41.41 91.61 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.128 0.49 . . . . 0.0 109.905 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.1 t -76.76 -45.55 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.673 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -57.79 -46.48 84.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.77 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.6 mt -74.02 -33.65 36.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.466 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 66.2 t90 -65.13 -41.83 94.46 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.13 -32.96 74.73 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.329 0.585 . . . . 0.0 110.25 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -72.93 -40.44 65.45 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.868 178.769 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.91 -46.49 89.2 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.541 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -59.55 -31.31 69.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.03 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 10.9 mmm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.664 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 28' ' ' GLN . 7.1 t . . . . . 0 C--O 1.24 0.573 0 CA-C-O 120.98 0.419 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -54.35 -47.13 72.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.599 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -52.66 -48.5 66.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.259 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.512 ' H ' HG23 ' A' ' 25' ' ' THR . 48.5 tt0 -61.26 -47.07 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.271 0.558 . . . . 0.0 110.368 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.3 m -57.82 -47.86 81.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.02 -48.79 80.17 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.47 -47.12 82.71 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.622 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.437 HD22 ' HE1' ' A' ' 65' ' ' PHE . 44.1 mt -63.25 -41.14 99.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.17 -40.28 95.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.045 0.45 . . . . 0.0 110.668 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -68.59 -45.09 72.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.292 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.16 -43.01 99.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.377 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.507 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 7.0 t80 -56.66 -53.63 55.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.98 -30.68 71.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.888 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.69 -50.74 9.52 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.404 0.621 . . . . 0.0 110.215 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -136.55 98.21 3.75 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.792 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -54.61 -33.8 61.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.534 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -124.64 144.15 50.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.641 0.734 . . . . 0.0 110.347 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 42' ' ' LEU . 2.0 mm? -121.31 155.58 34.41 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.42 -1.263 . . . . 0.0 109.56 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.72 171.28 14.21 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.045 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.4 -51.45 69.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.89 -43.36 83.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.642 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -57.74 -46.6 84.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.296 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -64.09 -41.04 97.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.47 -40.92 98.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.354 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 53' ' ' VAL . 24.7 tt0 -66.37 -50.7 62.63 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.11 -43.64 76.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.542 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.39 96.57 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.52 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -60.46 -47.96 83.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.497 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 49' ' ' GLU . 97.2 t -59.91 -32.29 49.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.347 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' A' ' 28' ' ' GLN . 94.8 mt -91.22 5.61 48.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.584 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.8 t30 60.22 38.11 20.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.839 0.828 . . . . 0.0 110.292 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.01 ' HB3' ' HG3' ' A' ' 60' ' ' GLN . 90.4 mt -130.62 -171.21 2.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.216 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.413 ' H ' ' CG ' ' A' ' 60' ' ' GLN . 5.2 p -108.94 174.73 5.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.691 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -65.92 -33.22 75.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 110.318 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -60.12 -38.48 83.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.999 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 1.01 ' HG3' ' HB3' ' A' ' 56' ' ' LEU . 6.1 mm100 -60.72 -39.96 90.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.553 . . . . 0.0 110.511 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.49 -40.5 34.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.508 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 36.8 tttt -61.43 -47.64 84.82 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.99 -41.68 87.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.461 0.172 . . . . 0.0 111.39 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 46.4 t90 -61.86 -43.83 98.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.966 0.413 . . . . 0.0 110.351 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 8.1 m-85 -72.91 -28.22 62.34 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.359 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -67.37 -41.69 84.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.444 179.311 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.35 -40.16 93.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.227 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 23.4 mmt180 -67.17 -35.62 80.05 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.776 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.149 179.832 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 120.749 0.309 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.487 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 47.1 mmtt -62.5 -42.88 99.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.456 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -64.05 -36.88 85.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.848 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.892 ' HG3' HD11 ' A' ' 54' ' ' LEU . 41.4 tt0 -65.51 -40.31 92.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.433 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 7.4 m -67.25 -46.03 74.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.263 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.7 -37.97 89.37 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.441 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 16.8 tt0 -67.15 -49.9 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.0 mt -60.25 -40.2 89.45 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.157 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.663 ' HG2' ' HH2' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -61.0 -48.84 79.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.449 0.643 . . . . 0.0 109.459 178.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HE3' ' HB3' ' A' ' 34' ' ' LYS . 17.6 ttpp -57.67 -49.89 74.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.183 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 5.7 mm-40 -62.74 -35.79 80.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.177 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -72.13 -39.62 68.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 37' ' ' LEU . 21.0 mt -70.49 -35.98 73.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 0.0 110.891 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.14 -45.0 28.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.501 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.01 90.29 3.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.36 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 mmt -55.44 -35.44 65.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.747 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -132.79 154.64 50.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.776 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' A' ' 46' ' ' ARG . 75.3 mt -147.02 164.99 31.23 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.681 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.91 173.22 11.39 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.004 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -46.17 89.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.382 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.66 -48.71 71.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.662 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 12.7 tpt180 -61.92 -41.42 97.91 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -64.54 -42.69 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.487 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 84.6 t80 -61.97 -41.37 97.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.177 179.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 53' ' ' VAL . 9.7 tp10 -68.5 -51.8 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.557 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.5 t -54.87 -41.98 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.952 0.406 . . . . 0.0 110.626 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -40.32 87.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.566 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 17.1 ttt180 -66.3 -45.1 81.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.944 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 49' ' ' GLU . 61.7 t -62.01 -20.55 24.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.169 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.892 HD11 ' HG3' ' A' ' 28' ' ' GLN . 1.3 tp -96.43 -80.39 0.43 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.751 ' N ' ' HG ' ' A' ' 54' ' ' LEU . 59.1 t30 169.75 26.37 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.844 0.458 . . . . 0.0 110.18 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 81.2 mt -133.3 179.97 5.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 111.237 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.481 ' OG1' ' HG2' ' A' ' 60' ' ' GLN . 80.8 p -109.28 177.61 4.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.745 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 38.8 mt-10 -59.57 -43.62 93.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.072 0.463 . . . . 0.0 110.413 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -65.74 -36.56 83.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.414 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.625 ' HB2' ' HB3' ' A' ' 56' ' ' LEU . 14.9 mm100 -65.77 -39.25 90.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 0.0 110.643 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.7 t -77.74 -37.99 24.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -60.68 -46.01 91.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.922 -178.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.1 mt -71.66 -34.61 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.696 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.663 ' HH2' ' HG2' ' A' ' 33' ' ' GLU . 28.0 t90 -64.09 -46.6 83.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -64.08 -35.39 80.6 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -46.56 51.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.895 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.403 HD22 ' HA ' ' A' ' 67' ' ' ASN . 2.0 t-20 -61.28 -42.13 98.13 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.674 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -54.53 -39.86 68.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.304 0.573 . . . . 0.0 110.009 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.791 179.503 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.607 ' HE3' HD11 ' A' ' 30' ' ' LEU . 44.8 tttp -59.28 -47.48 85.22 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.62 -44.88 93.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.348 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.531 ' HG3' HD22 ' A' ' 54' ' ' LEU . 8.4 tt0 -61.35 -48.53 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.191 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.2 m -57.99 -44.42 87.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.972 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.607 HD11 ' HE3' ' A' ' 26' ' ' LYS . 94.1 mt -61.3 -40.66 94.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.556 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.1 -47.67 76.4 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.527 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 3.8 mm? -61.31 -42.82 99.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.053 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' CD ' HH21 ' A' ' 68' ' ' ARG . 4.8 mm-40 -61.58 -48.04 82.76 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.321 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -55.3 -42.07 73.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.859 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -71.32 -49.92 37.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -62.46 -32.18 73.02 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 mt -71.68 -37.85 70.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.093 0.473 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -46.2 16.64 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.7 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.31 105.28 4.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.9 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.4 mtt -61.21 -11.9 11.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.184 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -135.36 159.39 41.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.156 0.503 . . . . 0.0 109.869 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD22 ' HG2' ' A' ' 46' ' ' ARG . 38.5 mt -133.47 154.1 51.08 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.344 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 1.6 p -79.65 176.44 9.71 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.057 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . 7.3 mmt180 -62.84 -48.69 77.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.926 0.393 . . . . 0.0 110.766 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.3 -47.44 76.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.458 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HG2' HD22 ' A' ' 42' ' ' LEU . 41.5 ttt180 -62.23 -41.01 98.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.394 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.592 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 15.6 ttm180 -61.99 -44.95 95.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.856 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -66.65 -39.79 88.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.977 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.5 tp10 -67.33 -50.61 59.34 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.524 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.92 -44.44 82.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.6 93.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.667 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.9 -50.12 75.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.069 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 49' ' ' GLU . 92.5 t -57.49 -31.05 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.246 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.531 HD22 ' HG3' ' A' ' 28' ' ' GLN . 55.6 mt -90.67 2.18 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.421 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.84 37.47 18.57 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.96 0.886 . . . . 0.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 60' ' ' GLN . 69.3 mt -135.77 -179.27 5.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.432 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -100.49 177.37 5.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.592 ' HB3' ' HD2' ' A' ' 47' ' ' ARG . 13.0 mt-10 -64.79 -29.3 70.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.255 -177.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 ttm105 -61.82 -37.26 83.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.073 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.427 ' HG2' HD22 ' A' ' 56' ' ' LEU . 18.4 mp0 -65.62 -37.99 88.16 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.855 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.9 t -77.06 -48.55 24.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.763 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.477 ' HE2' ' HB3' ' A' ' 62' ' ' LYS . 10.6 ttpt -58.34 -47.22 84.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.878 -178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.2 mt -72.79 -33.54 44.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.651 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.527 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 25.9 t90 -64.64 -40.46 95.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -61.68 -40.31 94.51 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.582 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -36.64 69.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.426 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -61.36 -47.51 85.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.837 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.405 HH21 ' CD ' ' A' ' 33' ' ' GLU . 16.8 tpt180 -64.36 -38.73 92.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.081 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 69' ' ' ARG . 20.0 tpt85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.193 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.634 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 68.1 mmtt -58.78 -41.65 87.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.106 0.412 . . . . 0.0 110.553 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -61.3 -44.96 96.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.307 0.575 . . . . 0.0 109.855 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -66.15 -33.57 76.07 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.589 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -67.84 -41.07 83.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 26' ' ' LYS . 85.8 mt -61.93 -41.95 98.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.523 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 13.2 tt0 -66.28 -42.39 88.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.795 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.449 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 13.8 mt -60.35 -40.05 89.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.11 178.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.87 -45.33 94.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.811 0.815 . . . . 0.0 109.866 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -58.79 -35.11 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.422 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 5.6 mm-40 -76.91 -40.04 48.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.969 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.597 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 8.1 t80 -56.88 -51.19 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.234 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.86 -42.96 99.95 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.707 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.41 -49.67 72.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.21 91.31 2.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.49 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -69.64 -28.83 66.23 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 110.493 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 131.24 35.42 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.399 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.43 ' HG ' ' HD2' ' A' ' 46' ' ' ARG . 5.1 mp -135.64 169.88 16.85 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-O 121.149 0.499 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.471 ' H ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -118.88 175.94 5.51 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.165 179.299 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -47.94 82.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 0.0 110.769 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.58 -50.36 65.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.789 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HB3' ' H ' ' A' ' 43' ' ' THR . 36.0 ttm180 -57.89 -41.4 82.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.05 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -63.33 -46.12 88.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.234 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -68.55 -34.75 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.592 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.52 -53.87 24.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.163 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.04 -40.28 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -60.12 -49.63 76.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.189 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' A' ' 52' ' ' ARG . 9.5 tpt180 -66.23 -40.56 90.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.759 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.4 t -54.62 -38.73 43.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.418 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.5 mt -94.42 -91.5 0.2 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.588 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -177.09 34.85 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.637 HD23 ' HB3' ' A' ' 60' ' ' GLN . 6.3 mp -124.17 -178.74 4.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.919 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.688 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 71.2 p -112.09 174.03 6.08 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 1.7 mp0 -61.32 -37.51 83.53 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -72.53 -41.86 65.39 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.799 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.688 ' HB2' ' H ' ' A' ' 57' ' ' THR . 36.6 mt-30 -62.15 -38.54 89.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.848 0.356 . . . . 0.0 110.549 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.7 t -77.32 -41.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.048 0.452 . . . . 0.0 110.531 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 11.8 ttpt -60.34 -46.92 88.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.479 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -65.09 -44.68 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.461 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.449 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 85.7 t90 -62.71 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.089 0.471 . . . . 0.0 109.784 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 1.2 m-85 -63.48 -39.86 95.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.17 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -71.15 -38.5 72.22 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.218 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -45.96 88.09 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.482 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.488 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 9.2 mmm180 -61.38 -39.11 89.46 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.332 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.428 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.734 HG23 ' H ' ' A' ' 28' ' ' GLN . 10.3 t . . . . . 0 C--O 1.239 0.527 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -57.48 -40.91 79.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.746 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -58.28 -48.53 80.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 110.934 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.734 ' H ' HG23 ' A' ' 25' ' ' THR . 49.6 tt0 -63.0 -44.51 95.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.273 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.695 ' HA ' ' CH2' ' A' ' 64' ' ' TRP . 21.8 m -60.84 -50.09 74.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.068 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.13 -36.46 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.384 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -63.54 -51.03 67.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.688 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.608 HD12 ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -68.6 -44.82 73.49 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.953 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' THR . 6.8 mt-10 -57.21 -39.23 75.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.648 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.88 -44.55 95.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.43 -33.09 74.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.55 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 57.4 t80 -71.73 -39.35 70.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.36 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.8 mt -68.53 -35.33 77.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.364 0.602 . . . . 0.0 110.199 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -73.08 -51.79 16.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.3 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.35 90.31 2.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.071 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.6 mtt -62.86 -35.39 79.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.399 0.618 . . . . 0.0 109.996 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.65 131.29 42.05 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.334 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.579 HD22 ' HG2' ' A' ' 46' ' ' ARG . 15.3 mt -143.91 176.58 9.16 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.342 0.592 . . . . 0.0 110.633 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.8 157.74 16.75 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.793 178.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -59.16 -46.73 87.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.937 0.399 . . . . 0.0 110.469 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.57 -44.4 97.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.176 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.579 ' HG2' HD22 ' A' ' 42' ' ' LEU . 26.4 tpt180 -64.21 -41.64 96.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.776 179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -63.97 -41.24 97.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.982 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 20.1 t80 -65.03 -38.78 92.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 53' ' ' VAL . 39.6 tt0 -64.51 -54.03 38.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.103 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.7 t -55.33 -41.8 63.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.986 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB2' HG21 ' A' ' 61' ' ' VAL . . . -66.12 -42.46 89.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.851 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 52' ' ' ARG . 2.2 ttt180 -65.72 -39.77 91.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.364 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 49' ' ' GLU . 25.4 t -50.4 -39.48 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.744 178.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.6 mt -91.71 -84.53 0.26 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 t30 178.99 18.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.503 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.722 ' HB3' ' HG2' ' A' ' 60' ' ' GLN . 1.2 mm? -106.53 177.45 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.096 0.474 . . . . 0.0 111.405 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.85 178.56 4.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.233 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.56 -44.13 97.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.508 . . . . 0.0 110.723 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' O ' HG12 ' A' ' 63' ' ' ILE . 22.7 ttt180 -60.48 -39.13 86.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.162 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.722 ' HG2' ' HB3' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -67.7 -37.48 82.32 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.499 -178.438 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.539 HG21 ' HB2' ' A' ' 51' ' ' ALA . 54.9 t -75.7 -36.97 35.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.956 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -64.09 -48.43 76.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.344 0.592 . . . . 0.0 110.689 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 59' ' ' ARG . 45.6 mm -71.54 -37.05 62.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.842 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.695 ' CH2' ' HA ' ' A' ' 29' ' ' THR . 6.7 t90 -61.08 -43.25 99.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 110.48 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 15.1 m-30 -73.87 -29.44 62.09 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 121.39 0.614 . . . . 0.0 110.567 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -33.89 76.12 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.78 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.32 -39.4 86.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.052 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -59.25 -41.86 89.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.18 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.579 179.786 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.492 HG23 HD13 ' B' ' 185' ' ' LEU . 57.4 m . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -120.12 23.45 10.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.417 0.627 . . . . 0.0 110.06 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 14.2 tppt? -122.94 113.84 19.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.695 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt 69.47 -86.76 0.03 OUTLIER 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.936 0.772 . . . . 0.0 111.747 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.736 ' HB2' ' HB3' ' B' ' 182' ' ' GLU . 58.4 ttt180 -58.06 144.2 40.8 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.239 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' B' ' 180' ' ' THR . 21.8 m -67.34 140.58 95.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.73 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -68.13 110.32 2.18 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.873 2.382 . . . . 0.0 112.396 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.41 ' HB3' ' OE1' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -69.69 140.59 53.59 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.553 0.692 . . . . 0.0 110.725 179.58 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -75.14 171.9 13.33 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 mttp -61.31 -49.69 76.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.586 0.231 . . . . 0.0 110.442 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -56.05 -45.04 79.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.375 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.41 ' OE1' ' HB3' ' A' ' 24' ' ' TYR . 9.3 tt0 -64.2 -50.09 69.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.775 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 m -61.29 -44.06 97.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.328 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.88 -46.6 89.96 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.41 -50.25 73.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.829 0.347 . . . . 0.0 110.53 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.75 -38.08 86.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.76 -49.71 67.41 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.224 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 44.3 tttp -65.42 -43.34 90.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -61.47 -44.43 97.11 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.124 0.265 . . . . 0.0 111.541 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.5 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 52.2 t80 -70.21 -39.79 74.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 0.0 111.239 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -67.47 -39.82 85.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -75.87 -49.37 18.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.922 -179.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -124.6 96.01 4.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.23 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.2 mtm -59.27 -23.53 62.46 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -128.81 148.72 50.9 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.417 0.627 . . . . 0.0 110.117 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.555 HD13 ' HE2' ' A' ' 65' ' ' PHE . 6.4 mp -134.8 167.54 20.69 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.346 -178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 p -96.59 170.57 9.11 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.907 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -60.79 -51.46 69.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.998 0.428 . . . . 0.0 111.379 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.81 -42.75 94.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.696 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -62.99 -42.44 99.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.102 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -64.32 -41.36 96.85 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 58' ' ' GLU . 81.9 t80 -64.88 -37.99 89.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.909 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.09 -51.0 62.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.067 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.2 t -56.03 -44.91 79.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.742 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.22 -42.06 99.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.543 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -61.98 -46.95 87.01 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.163 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.77 -36.4 65.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.568 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.38 3.13 37.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.008 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 57.13 37.95 28.77 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.732 0.777 . . . . 0.0 110.865 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mt -135.79 -174.88 3.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.087 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.7 p -88.19 164.23 15.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.579 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 48' ' ' TYR . 43.4 mt-10 -64.6 -30.06 71.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -58.66 -35.89 73.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.508 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -60.04 -41.58 92.59 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.019 0.438 . . . . 0.0 110.289 -179.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.472 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 29.8 t -76.31 -46.17 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.653 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -56.36 -47.1 79.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.733 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 48.1 mm -75.52 -33.75 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.076 -179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.428 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 10.4 t90 -62.42 -42.72 99.65 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.555 ' HE2' HD13 ' A' ' 42' ' ' LEU . 13.7 m-30 -66.17 -39.72 89.95 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.084 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.428 ' OE1' ' HD2' ' A' ' 69' ' ' ARG . 2.1 mp0 -72.06 -37.08 69.72 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.284 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' A' ' 70' ' ' MET . 1.9 t-20 -62.24 -35.63 79.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.772 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 68' ' ' ARG . 12.6 tpt180 -64.51 -44.46 90.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.76 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.428 ' HD2' ' OE1' ' A' ' 66' ' ' GLN . 61.9 mtt85 -65.06 -46.16 82.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.56 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 67' ' ' ASN . 11.4 ptm -64.26 -30.45 71.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.681 ' HA ' HG11 ' B' ' 186' ' ' VAL . 31.7 ttmt -72.16 -30.66 65.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.209 0.528 . . . . 0.0 110.27 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.8 ttt -75.9 -37.89 58.34 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.751 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -79.33 -52.05 8.62 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.549 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' HB2' HG12 ' B' ' 186' ' ' VAL . 28.1 mtpp -77.57 -68.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 -178.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.432 ' HE3' ' HB2' ' A' ' 75' ' ' MET . 33.8 ttm -84.12 53.86 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.275 0.559 . . . . 0.0 110.213 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.228 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.51 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.844 0.354 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -152.78 162.01 41.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.785 0.326 . . . . 0.0 110.709 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -125.04 26.42 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.001 0.429 . . . . 0.0 110.174 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -81.2 -80.68 0.14 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.44 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' B' ' 176' ' ' SER . 56.4 m-20 36.79 -107.37 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 124.207 0.942 . . . . 0.0 110.912 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' SER . . . . . 0.923 ' HB3' ' HB2' ' B' ' 179' ' ' GLU . 23.2 t 165.78 149.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.095 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.21 -13.19 61.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.461 0.648 . . . . 0.0 111.11 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.05 11.03 10.19 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.739 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . 0.923 ' HB2' ' HB3' ' B' ' 176' ' ' SER . 4.2 tp10 -81.92 -36.0 28.54 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 122.112 0.958 . . . . 0.0 109.135 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' THR . . . . . 0.523 ' HA ' ' SG ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -84.82 -25.94 27.79 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.883 -1.508 . . . . 0.0 109.549 179.014 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 5.2 t -133.45 85.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' GLU . . . . . 0.736 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -91.54 149.2 21.78 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.58 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -129.3 51.13 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.136 0.493 . . . . 0.0 110.691 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 23.2 m -144.17 12.19 1.58 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.492 HD13 HG23 ' A' ' 17' ' ' THR . 45.5 tp -62.74 -25.98 68.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 186' ' ' VAL . . . . . 0.681 HG11 ' HA ' ' A' ' 71' ' ' LYS . 14.2 t -110.16 81.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.59 -18.67 18.8 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.524 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.12 100.89 4.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 1.1 m -83.38 -60.6 2.09 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.983 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.348 -0.834 . . . . 0.0 111.723 -179.783 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 120.543 0.211 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 70.81 129.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.027 0.83 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.838 ' HD2' ' HG2' ' B' ' 182' ' ' GLU . 0.1 OUTLIER -68.75 92.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.76 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' C ' ' HB2' ' B' ' 182' ' ' GLU . 9.7 ptpp? -129.66 171.13 12.96 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.118 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' HD2' ' OH ' ' A' ' 24' ' ' TYR . 4.9 tpp180 -97.37 125.93 42.29 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.471 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -60.28 137.75 91.74 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.698 0.285 . . . . 0.0 110.35 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 22' ' ' CYS . 6.2 Cg_exo -80.06 67.06 8.74 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 122.876 2.384 . . . . 0.0 111.986 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.444 ' OH ' ' HD2' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -79.62 140.0 37.26 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 121.366 0.603 . . . . 0.0 109.603 179.267 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.32 167.99 20.11 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.123 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -59.05 -42.0 89.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.231 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -56.19 -48.98 75.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.292 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.548 HE22 HD13 ' A' ' 54' ' ' LEU . 63.5 tp60 -61.32 -45.14 95.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.278 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.491 HG23 ' HZ2' ' A' ' 64' ' ' TRP . 12.9 m -62.13 -49.33 76.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.479 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -64.07 -36.17 83.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.704 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.505 ' HG2' HD21 ' A' ' 54' ' ' LEU . 6.6 tp10 -66.26 -50.01 65.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.147 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.95 -41.03 95.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.286 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.624 ' HG2' ' HH2' ' A' ' 64' ' ' TRP . 0.6 OUTLIER -62.65 -47.1 85.15 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.302 179.319 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -57.51 -39.38 76.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.651 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -70.42 -45.6 65.58 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -57.24 -32.97 67.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.54 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.78 -41.8 43.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.334 0.588 . . . . 0.0 110.45 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.45 -49.99 42.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.15 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -128.66 97.47 4.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.28 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 39.9 mtt -69.5 -30.4 68.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.507 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -108.59 152.3 24.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.024 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.9 mt -145.34 170.16 16.86 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.244 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.84 171.32 7.6 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.336 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -62.86 -52.74 61.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.789 0.328 . . . . 0.0 111.252 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.96 -42.63 97.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.999 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -62.88 -42.3 99.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.382 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -62.12 -45.26 94.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 75.3 t80 -65.09 -37.96 89.18 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 53' ' ' VAL . 15.9 tp10 -65.63 -52.55 51.02 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.141 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.6 t -55.21 -43.3 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.184 0.516 . . . . 0.0 109.76 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.415 ' HB1' ' C ' ' A' ' 56' ' ' LEU . . . -63.48 -43.57 96.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.992 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -68.24 -39.05 82.39 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.861 -179.463 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 49' ' ' GLU . 33.2 t -59.23 -31.6 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.195 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.548 HD13 HE22 ' A' ' 28' ' ' GLN . 39.1 mt -97.9 -93.53 0.23 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -176.32 43.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 84.3 mt -134.04 -173.85 3.37 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.827 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.587 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -124.53 178.27 5.5 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -60.05 -43.89 95.07 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 121.152 -0.219 . . . . 0.0 110.867 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.2 ttm105 -68.08 -36.47 79.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.462 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.587 ' HB2' ' H ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -64.24 -38.25 90.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.41 -179.315 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.4 t -77.17 -43.03 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 3.6 tmtp? -59.88 -46.37 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.296 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.6 mt -69.46 -37.61 75.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.959 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.624 ' HH2' ' HG2' ' A' ' 33' ' ' GLU . 30.6 t90 -62.02 -49.33 76.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.939 0.4 . . . . 0.0 110.195 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -66.4 -33.86 76.65 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.325 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -73.28 -45.07 57.84 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.217 -179.736 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.557 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.5 t-20 -64.75 -48.81 73.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.287 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -34.46 75.94 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.829 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -61.36 -56.87 15.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.441 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 1.5 ptm -67.55 -33.37 74.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.904 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.859 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -58.96 -45.4 90.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.491 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.566 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 8.6 ttt -61.45 -45.25 95.06 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -64.23 -48.27 76.46 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.799 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.859 ' HE3' ' HA ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -75.49 -18.29 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.503 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.445 ' HB3' ' NZ ' ' A' ' 74' ' ' LYS . 20.5 ttt -161.23 92.0 0.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.141 0.496 . . . . 0.0 110.167 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.566 ' HB2' ' O ' ' A' ' 72' ' ' MET . 52.3 t30 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.212 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.737 0.303 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -92.57 24.19 3.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.117 0.484 . . . . 0.0 110.303 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -80.74 80.57 7.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.355 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -145.27 -63.13 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.53 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 30.1 t70 60.82 30.2 19.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.516 0.674 . . . . 0.0 110.967 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 11.8 m -131.33 56.02 1.83 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.939 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . 0.683 ' HG3' ' HG2' ' B' ' 178' ' ' GLU . 12.9 pt-20 -102.18 -17.65 15.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.493 0.663 . . . . 0.0 110.194 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . 0.683 ' HG2' ' HG3' ' B' ' 177' ' ' GLU . 22.9 mm-40 -129.85 25.93 5.28 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.635 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -175.81 3.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.899 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 180' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 19' ' ' LYS . 2.4 m -97.31 136.14 38.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.025 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.493 HG21 ' HA ' ' A' ' 60' ' ' GLN . 1.7 t -112.08 90.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 182' ' ' GLU . . . . . 0.838 ' HG2' ' HD2' ' A' ' 19' ' ' LYS . 1.4 tm-20 -59.06 112.96 1.88 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.055 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.77 74.8 9.71 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.51 0.672 . . . . 0.0 109.682 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.62 125.81 29.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.121 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 8.9 tp -65.54 -63.25 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.153 0.501 . . . . 0.0 109.856 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 186' ' ' VAL . . . . . 0.667 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 21.2 t -129.98 88.45 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.314 0.578 . . . . 0.0 109.601 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -26.66 57.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.817 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 35.4 t70 64.78 30.06 12.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.692 0.758 . . . . 0.0 110.085 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 4.3 m -103.81 -52.02 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.163 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.505 -179.554 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.522 HG23 ' HB2' ' A' ' 20' ' ' LYS . 9.2 t . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 120.8 0.334 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -79.72 159.08 26.78 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.63 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? 72.83 -45.7 0.63 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.699 0.8 . . . . 0.0 111.501 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.9 mptp? -77.12 -149.73 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.824 0.345 . . . . 0.0 111.039 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' H ' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -44.48 134.57 5.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.649 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 38.6 m -61.71 140.09 95.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 22' ' ' CYS . 37.9 Cg_exo -60.29 127.59 23.5 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.839 2.359 . . . . 0.0 112.222 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -100.59 150.27 22.88 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-O 120.913 0.387 . . . . 0.0 109.974 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.612 HG23 ' H ' ' A' ' 28' ' ' GLN . 14.5 t -75.64 157.5 33.65 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.087 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HD3' ' HB ' ' A' ' 29' ' ' THR . 1.4 tppp? -59.65 -35.44 74.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.51 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -56.77 -46.46 81.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 109.813 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.612 ' H ' HG23 ' A' ' 25' ' ' THR . 7.3 tp60 -69.77 -37.32 76.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.489 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.531 ' HA ' ' CZ2' ' A' ' 64' ' ' TRP . 21.5 m -61.34 -50.11 74.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.194 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 26' ' ' LYS . 91.3 mt -58.32 -50.02 75.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.727 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.744 ' HG2' HD21 ' A' ' 54' ' ' LEU . 30.9 tp10 -62.94 -47.38 83.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.537 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.44 -41.67 98.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.622 0.249 . . . . 0.0 111.076 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.97 -39.86 87.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 120.939 0.399 . . . . 0.0 110.048 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -61.24 -47.6 85.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.377 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.95 -40.24 94.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.43 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 70.0 t80 -65.69 -38.7 89.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.243 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.92 -41.54 82.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.167 0.508 . . . . 0.0 110.633 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -70.82 -51.62 25.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.381 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.73 92.39 3.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.658 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 44.5 mtm -57.9 -30.28 65.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.943 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -123.94 147.82 47.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.472 0.653 . . . . 0.0 110.083 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.3 mt -140.22 165.19 28.06 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.832 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.5 167.39 14.69 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.689 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -47.2 86.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 0.0 110.748 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -66.05 -48.44 71.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.395 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -62.27 -40.65 96.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.669 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.546 ' NH1' ' HG3' ' A' ' 62' ' ' LYS . 53.9 ttp180 -62.71 -42.24 99.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.229 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.05 -37.14 78.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.029 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 53' ' ' VAL . 4.2 tp10 -62.87 -52.65 62.29 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.5 t -55.72 -44.55 77.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.609 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.68 -44.21 96.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.15 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -65.18 -46.95 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.158 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 49' ' ' GLU . 75.0 t -58.57 -27.64 34.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.744 HD21 ' HG2' ' A' ' 31' ' ' GLU . 79.3 mt -94.13 -91.33 0.2 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.837 0.351 . . . . 0.0 110.487 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -179.44 33.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.329 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.516 ' HB3' ' CB ' ' A' ' 60' ' ' GLN . 56.5 mt -125.86 -173.81 2.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.421 0.629 . . . . 0.0 111.656 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.775 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 41.9 p -121.16 -179.33 4.01 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.584 178.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -62.65 -43.36 99.01 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.73 -0.388 . . . . 0.0 109.962 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -68.83 -37.72 79.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.775 ' HB2' ' H ' ' A' ' 57' ' ' THR . 30.4 mm-40 -60.06 -41.15 91.74 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.333 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.1 t -77.34 -40.79 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.546 ' HG3' ' NH1' ' A' ' 47' ' ' ARG . 20.4 tttt -59.18 -47.61 84.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.088 0.47 . . . . 0.0 110.716 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.563 HD12 ' HB3' ' B' ' 183' ' ' ASP . 46.4 mm -67.07 -34.41 69.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.442 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.531 ' CZ2' ' HA ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -64.25 -45.74 86.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.216 0.531 . . . . 0.0 109.64 179.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.75 -37.91 82.77 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.522 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -41.28 92.84 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.069 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.425 ' OD1' ' HB3' ' B' ' 185' ' ' LEU . 2.8 m-20 -66.47 -44.19 83.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.524 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.508 ' HG2' ' HZ3' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -58.74 -35.47 72.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.968 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.455 ' HG2' ' HE2' ' A' ' 73' ' ' LYS . 52.3 ttp180 -65.45 -43.17 91.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.426 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.623 ' HA ' ' HD2' ' A' ' 73' ' ' LYS . 43.0 mtm -71.73 -34.38 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.093 0.473 . . . . 0.0 110.315 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.607 ' HG2' ' HG3' ' A' ' 75' ' ' MET . 7.0 tmtm? -64.82 -26.6 68.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.157 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -22.1 57.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.369 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.623 ' HD2' ' HA ' ' A' ' 70' ' ' MET . 41.3 mttm -88.91 -62.7 1.42 Allowed 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.657 ' HB2' ' HB3' ' B' ' 188' ' ' ASP . 0.1 OUTLIER -87.82 -73.21 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -176.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.607 ' HG3' ' HG2' ' A' ' 71' ' ' LYS . 17.5 ptp -80.87 46.45 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.524 0.678 . . . . 0.0 111.351 -178.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.5 t30 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.218 179.62 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.749 0.309 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -105.64 24.46 12.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.2 0.524 . . . . 0.0 110.199 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . 0.55 ' HA ' ' HB2' ' B' ' 177' ' ' GLU . 17.9 mp0 -90.19 92.33 8.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.782 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -108.35 -60.96 1.66 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.327 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -156.23 9.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.362 0.601 . . . . 0.0 110.989 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 6.7 m -142.29 28.13 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.008 0.432 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . 0.55 ' HB2' ' HA ' ' B' ' 173' ' ' GLU . 0.0 OUTLIER -138.13 22.18 2.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 -179.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.09 24.21 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . 0.578 ' HG3' ' H ' ' B' ' 180' ' ' THR . 3.8 tp10 -81.4 -177.61 6.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.05 0.452 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 180' ' ' THR . . . . . 0.578 ' H ' ' HG3' ' B' ' 179' ' ' GLU . 0.6 OUTLIER -98.34 -50.02 4.47 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 122.335 1.064 . . . . 0.0 108.96 178.527 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.546 HG11 ' HA ' ' A' ' 60' ' ' GLN . 2.3 t -113.08 73.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 113.458 -1.701 . . . . 0.0 107.873 178.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 182' ' ' GLU . . . . . 0.414 ' HG2' ' HB3' ' B' ' 179' ' ' GLU . 24.8 mt-10 -61.66 127.66 32.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.48 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . 0.563 ' HB3' HD12 ' A' ' 63' ' ' ILE . 1.6 p-10 -84.47 -8.86 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.932 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 184' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 4.6 m -81.59 49.8 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.102 0.477 . . . . 0.0 110.141 178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.425 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . 1.6 tt -95.03 -24.33 16.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 186' ' ' VAL . . . . . 0.58 HG13 ' HG2' ' A' ' 75' ' ' MET . 5.9 t -94.02 50.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.608 0.718 . . . . 0.0 109.837 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.2 74.54 7.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.086 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.657 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . 11.7 t70 -101.85 29.23 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.358 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 1.2 p -174.28 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.36 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.245 0.858 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.031 -179.844 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 120.789 0.328 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -123.29 -40.83 2.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.751 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -137.87 -7.73 1.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.315 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 67.62 171.25 0.27 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.504 0.669 . . . . 0.0 111.788 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.54 ' HB3' ' HG ' ' B' ' 185' ' ' LEU . 4.3 tpt180 -68.7 135.49 51.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.743 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.55 ' HB3' HG22 ' B' ' 180' ' ' THR . 1.2 p -65.66 139.2 96.97 Favored Pre-proline 0 C--O 1.237 0.407 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.701 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 22' ' ' CYS . 23.9 Cg_exo -64.73 125.36 14.71 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 123.024 2.483 . . . . 0.0 112.419 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -101.1 140.39 35.46 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.686 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.02 157.05 38.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.273 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 45.0 mmtm -56.18 -48.49 76.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.411 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -60.75 -44.44 96.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 110.141 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -58.06 -43.68 87.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.09 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -66.45 -43.96 84.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.636 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.0 mt -59.01 -42.0 89.04 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.008 0.432 . . . . 0.0 111.125 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.71 -45.08 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD22 HG13 ' A' ' 61' ' ' VAL . 54.8 mt -65.95 -41.12 91.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HG3' ' CH2' ' A' ' 64' ' ' TRP . 6.4 mt-10 -64.75 -36.85 85.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.055 0.455 . . . . 0.0 110.884 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -61.36 -49.57 76.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.637 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' HG3' ' HZ ' ' A' ' 65' ' ' PHE . 7.1 pt-20 -74.33 -33.13 63.07 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.655 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CE2' ' HG2' ' A' ' 68' ' ' ARG . 9.5 t80 -53.75 -54.05 43.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.435 0.636 . . . . 0.0 110.697 178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.1 mt -65.88 -36.98 84.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.56 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -62.67 -50.51 70.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.558 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -152.39 105.72 3.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.54 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.528 ' HG2' ' CE1' ' A' ' 36' ' ' PHE . 31.5 mtm -61.42 -30.01 70.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.424 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -117.78 149.29 41.04 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.466 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.625 ' HG ' ' N ' ' A' ' 43' ' ' THR . 25.5 tp -150.35 169.8 20.55 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.286 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.625 ' N ' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -75.02 156.64 35.99 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.895 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -63.1 -51.03 68.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.652 0.263 . . . . 0.0 110.664 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.44 -45.76 80.63 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HD3' ' HA ' ' A' ' 46' ' ' ARG . 8.7 tpp180 -64.92 -36.88 85.81 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.114 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -65.58 -48.14 73.34 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CD1' ' HG2' ' A' ' 58' ' ' GLU . 2.5 m-85 -58.04 -37.24 74.0 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 53' ' ' VAL . 16.7 tt0 -69.88 -49.46 52.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.695 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.2 t -55.21 -42.65 67.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.104 0.478 . . . . 0.0 110.219 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.48 98.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.611 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -42.87 79.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.663 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 49' ' ' GLU . 41.7 t -54.35 -33.09 25.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.952 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 43.8 mt -91.37 -92.04 0.15 Allowed 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.257 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 59.8 t30 177.65 29.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.209 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 83.5 mt -126.59 171.84 10.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.174 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.421 ' OG1' ' HG3' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -89.3 168.88 11.9 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.659 ' HG2' ' CD1' ' A' ' 48' ' ' TYR . 36.9 mp0 -61.78 -38.39 87.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.692 0.282 . . . . 0.0 110.632 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.484 ' HG2' HG12 ' A' ' 63' ' ' ILE . 19.6 ttt180 -65.96 -35.02 79.46 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.766 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.568 ' HA ' HG11 ' B' ' 181' ' ' VAL . 3.2 mt-30 -58.63 -40.52 83.6 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.962 0.41 . . . . 0.0 110.883 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.474 HG13 HD22 ' A' ' 32' ' ' LEU . 19.7 t -76.27 -46.0 33.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.572 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.475 ' HE2' ' HB3' ' A' ' 62' ' ' LYS . 5.2 ttpt -61.12 -46.07 92.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.57 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.484 HG12 ' HG2' ' A' ' 59' ' ' ARG . 29.9 mm -64.31 -34.02 66.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.539 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.432 ' HZ3' ' HB2' ' A' ' 36' ' ' PHE . 80.7 t90 -64.63 -41.88 95.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 6.1 m-85 -65.14 -42.58 93.69 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.84 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -39.71 84.74 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.868 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.619 HD21 ' HB3' ' B' ' 185' ' ' LEU . 6.8 t-20 -65.62 -52.38 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.285 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -62.93 -36.06 82.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.092 -179.415 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.63 -41.15 98.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.961 0.41 . . . . 0.0 110.241 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.413 ' HE2' ' HA ' ' A' ' 67' ' ' ASN . 2.5 ptp -74.2 -29.68 61.86 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.89 ' HA ' HG11 ' B' ' 186' ' ' VAL . 53.7 tttm -63.23 -36.83 84.94 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.491 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.6 ttp -53.93 -51.92 62.24 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.826 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -87.75 -39.95 14.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.4 -70.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.01 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.811 ' HG2' ' HA ' ' B' ' 188' ' ' ASP . 66.8 mtm -83.09 57.6 4.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.568 0.699 . . . . 0.0 109.337 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--O 1.244 0.803 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.341 -179.307 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 65.1 t30 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -122.78 45.92 2.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.685 0.279 . . . . 0.0 111.354 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.62 -9.22 59.05 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.18 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -74.63 -34.47 62.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.082 0.467 . . . . 0.0 109.967 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.87 54.18 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 176' ' ' SER . . . . . 0.436 ' HB2' ' NH1' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -77.5 59.1 1.85 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.933 -178.714 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -84.77 -11.25 56.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.13 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -126.62 21.6 7.06 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.5 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -72.66 -177.26 2.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.135 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 180' ' ' THR . . . . . 0.55 HG22 ' HB3' ' A' ' 22' ' ' CYS . 1.7 m -90.06 -19.0 24.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.784 0.802 . . . . 0.0 109.685 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 60' ' ' GLN . 3.0 t -100.1 67.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.41 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 182' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.84 146.4 28.94 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.291 0.567 . . . . 0.0 111.232 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.03 -18.73 60.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.908 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 15.9 m -79.23 116.95 19.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.19 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.619 ' HB3' HD21 ' A' ' 67' ' ' ASN . 1.2 tm? -166.08 -33.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.945 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 186' ' ' VAL . . . . . 0.89 HG11 ' HA ' ' A' ' 71' ' ' LYS . 38.3 t -100.57 69.23 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.365 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' B' ' 187' ' ' GLU . 4.7 pt-20 -81.54 -0.77 43.61 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.223 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.811 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 44.1 t0 62.99 64.32 0.87 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.219 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 36.1 m -142.48 -4.54 0.98 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.928 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.708 -179.7 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.562 HG22 ' HB2' ' A' ' 20' ' ' LYS . 1.4 m . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.603 0.24 . . . . 0.0 111.616 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER 56.52 46.42 20.59 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.011 -179.121 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 18' ' ' ARG . 56.7 tttt 73.16 -68.07 0.24 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.845 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HB2' HG22 ' A' ' 17' ' ' THR . 1.7 tptp 57.16 -155.15 0.33 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.441 0.463 . . . . 0.0 110.846 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.606 ' HG2' ' HA ' ' B' ' 183' ' ' ASP . 0.2 OUTLIER -66.43 129.46 39.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.03 138.39 35.45 Favored Pre-proline 0 C--N 1.328 -0.356 0 O-C-N 123.436 0.46 . . . . 0.0 110.953 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -76.32 78.04 3.37 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.555 2.17 . . . . 0.0 112.897 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CE2' ' HD2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -68.66 126.17 28.84 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.033 178.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.2 p -73.81 166.87 22.54 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.138 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -55.3 -45.03 76.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.955 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -59.08 -43.07 91.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.635 0.255 . . . . 0.0 111.129 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.714 ' HG3' HD22 ' A' ' 54' ' ' LEU . 9.9 tt0 -65.24 -52.12 56.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.277 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -57.62 -43.21 84.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.64 -35.25 77.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.645 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.61 -47.01 64.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD21 HD13 ' A' ' 54' ' ' LEU . 3.1 mm? -58.9 -45.65 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.47 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.96 -44.64 95.49 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.078 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm -59.67 -44.46 93.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.945 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -66.75 -45.17 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 36.0 t80 -64.52 -35.45 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.337 . . . . 0.0 111.474 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.56 -31.05 63.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.401 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -82.6 -53.26 6.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.469 0.652 . . . . 0.0 110.492 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -133.32 99.84 4.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.365 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.6 mtt -59.43 -24.44 63.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.0 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -129.25 143.13 50.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.425 0.631 . . . . 0.0 110.281 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.3 mm? -126.8 164.0 22.33 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.833 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.35 170.89 14.08 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.478 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -49.52 77.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.24 -46.4 83.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.214 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -59.29 -44.06 92.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.605 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -64.69 -44.73 89.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.563 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 76.4 t80 -64.09 -36.37 83.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.445 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -69.74 -49.27 54.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.321 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 42.1 t -59.44 -44.44 92.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.48 93.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.396 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -63.22 -48.32 78.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.387 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 49' ' ' GLU . 95.9 t -59.98 -38.12 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.044 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.714 HD22 ' HG3' ' A' ' 28' ' ' GLN . 18.8 mt -83.84 -2.14 55.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.264 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 t30 60.86 39.84 16.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.969 0.89 . . . . 0.0 109.969 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.585 HD22 ' HG3' ' A' ' 60' ' ' GLN . 64.4 mt -124.37 -177.17 3.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.97 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.52 HG21 ' HA ' ' B' ' 179' ' ' GLU . 3.0 p -99.96 164.8 11.84 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.572 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -61.85 -35.46 78.35 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -64.14 -35.65 81.47 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.585 ' HG3' HD22 ' A' ' 56' ' ' LEU . 62.0 mm-40 -59.9 -41.41 91.61 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.128 0.49 . . . . 0.0 109.905 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.1 t -76.76 -45.55 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.673 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -57.79 -46.48 84.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.77 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.75 HD12 ' HB ' ' B' ' 181' ' ' VAL . 22.6 mt -74.02 -33.65 36.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.466 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 66.2 t90 -65.13 -41.83 94.46 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.13 -32.96 74.73 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.329 0.585 . . . . 0.0 110.25 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -72.93 -40.44 65.45 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.868 178.769 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.91 -46.49 89.2 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.541 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -59.55 -31.31 69.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.03 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 10.9 mmm180 -64.67 -50.22 67.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.664 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 14.8 ptt? -72.66 -30.02 63.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.134 0.492 . . . . 0.0 110.265 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.647 ' HE3' ' HA ' ' B' ' 186' ' ' VAL . 8.1 mttp -63.59 -32.52 74.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.823 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.3 ttm -58.57 -41.85 86.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.319 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -71.03 -40.84 71.51 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.977 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -78.53 -58.01 3.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.835 0.35 . . . . 0.0 111.386 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 17.8 ttt -95.36 62.13 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.535 0.683 . . . . 0.0 109.963 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.646 -179.866 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 171' ' ' ASN . . . . . 0.414 ' HB3' ' H ' ' B' ' 172' ' ' GLN . 71.9 m-20 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 172' ' ' GLN . . . . . 0.414 ' H ' ' HB3' ' B' ' 171' ' ' ASN . 50.8 mt-30 -88.51 70.1 8.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -96.48 -3.85 42.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.957 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -121.31 -8.47 9.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.231 0.539 . . . . 0.0 110.338 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -133.53 135.24 44.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.964 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 176' ' ' SER . . . . . 0.571 ' CB ' ' HB3' ' B' ' 179' ' ' GLU . 2.1 m -132.78 -176.78 4.22 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.829 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -91.24 -72.44 0.58 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.403 0.621 . . . . 0.0 110.422 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.63 -0.38 10.8 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.65 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . 0.571 ' HB3' ' CB ' ' B' ' 176' ' ' SER . 40.6 tt0 -66.41 -36.88 83.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.605 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 180' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.01 132.95 34.69 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.464 -1.244 . . . . 0.0 109.846 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.75 ' HB ' HD12 ' A' ' 63' ' ' ILE . 3.2 t -116.01 97.16 5.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 182' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -53.75 -51.87 62.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.865 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . 0.606 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 6.0 t70 65.52 134.59 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.324 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.54 -165.93 1.37 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.637 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.497 ' HG ' HG23 ' B' ' 186' ' ' VAL . 40.0 tp -101.5 -86.26 0.41 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 186' ' ' VAL . . . . . 0.647 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 61.2 t -140.97 92.24 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . 0.462 ' HA ' ' CD ' ' B' ' 190' ' ' GLU . 2.1 pm0 -74.56 80.07 1.97 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.341 0.591 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -130.58 21.2 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.044 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.6 -37.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.092 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . 0.462 ' CD ' ' HA ' ' B' ' 187' ' ' GLU . 1.6 pm0 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.461 -0.781 . . . . 0.0 110.606 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.94 ' HB ' ' HB3' ' B' ' 183' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.969 0.414 . . . . 0.0 110.702 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HA ' ' HG2' ' B' ' 182' ' ' GLU . 43.3 mtm180 -75.28 92.09 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HB3' ' HG2' ' B' ' 179' ' ' GLU . 1.6 tppp? -131.91 -73.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.948 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HD3' ' HG2' ' B' ' 177' ' ' GLU . 22.7 tptm -162.71 133.8 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.736 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.654 ' HG2' ' HE2' ' A' ' 24' ' ' TYR . 6.7 ttp180 -108.0 136.94 46.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.3 p -71.74 150.57 93.26 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 120.714 0.292 . . . . 0.0 110.554 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.47 99.81 0.74 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.711 2.274 . . . . 0.0 113.582 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.654 ' HE2' ' HG2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -87.67 136.21 33.05 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.049 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 28' ' ' GLN . 7.1 t -71.78 161.59 30.74 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.096 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -54.35 -47.13 72.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.599 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -52.66 -48.5 66.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.259 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.512 ' H ' HG23 ' A' ' 25' ' ' THR . 48.5 tt0 -61.26 -47.07 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.271 0.558 . . . . 0.0 110.368 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.3 m -57.82 -47.86 81.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.02 -48.79 80.17 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -57.47 -47.12 82.71 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.622 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD22 ' HE1' ' A' ' 65' ' ' PHE . 44.1 mt -63.25 -41.14 99.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.17 -40.28 95.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.045 0.45 . . . . 0.0 110.668 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -68.59 -45.09 72.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.292 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.16 -43.01 99.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.377 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.507 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 7.0 t80 -56.66 -53.63 55.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.98 -30.68 71.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.888 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.69 -50.74 9.52 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.404 0.621 . . . . 0.0 110.215 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -136.55 98.21 3.75 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.792 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -54.61 -33.8 61.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.534 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -124.64 144.15 50.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.641 0.734 . . . . 0.0 110.347 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.0 mm? -121.31 155.58 34.41 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.42 -1.263 . . . . 0.0 109.56 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.72 171.28 14.21 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.045 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.4 -51.45 69.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.89 -43.36 83.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.642 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -57.74 -46.6 84.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.296 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -64.09 -41.04 97.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.47 -40.92 98.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.354 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 53' ' ' VAL . 24.7 tt0 -66.37 -50.7 62.63 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.204 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.11 -43.64 76.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.542 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.39 96.57 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.52 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -60.46 -47.96 83.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.497 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 49' ' ' GLU . 97.2 t -59.91 -32.29 49.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.347 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' A' ' 28' ' ' GLN . 94.8 mt -91.22 5.61 48.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.584 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.8 t30 60.22 38.11 20.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.839 0.828 . . . . 0.0 110.292 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.01 ' HB3' ' HG3' ' A' ' 60' ' ' GLN . 90.4 mt -130.62 -171.21 2.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.216 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.413 ' H ' ' CG ' ' A' ' 60' ' ' GLN . 5.2 p -108.94 174.73 5.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.691 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -65.92 -33.22 75.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 110.318 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -60.12 -38.48 83.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.999 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 1.01 ' HG3' ' HB3' ' A' ' 56' ' ' LEU . 6.1 mm100 -60.72 -39.96 90.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.553 . . . . 0.0 110.511 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.6 t -76.49 -40.5 34.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.508 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 36.8 tttt -61.43 -47.64 84.82 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.554 HG23 ' HB2' ' B' ' 183' ' ' ASP . 1.7 mp -66.99 -41.68 87.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.461 0.172 . . . . 0.0 111.39 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 46.4 t90 -61.86 -43.83 98.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.966 0.413 . . . . 0.0 110.351 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 8.1 m-85 -72.91 -28.22 62.34 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.359 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -67.37 -41.69 84.62 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.444 179.311 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.562 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 3.7 t-20 -61.35 -40.16 93.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.227 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . 23.4 mmt180 -67.17 -35.62 80.05 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.776 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -62.82 -54.75 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.149 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.525 ' HE3' ' HA ' ' B' ' 185' ' ' LEU . 18.9 mtm -67.26 -33.76 76.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.468 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.589 ' HA ' HG13 ' B' ' 186' ' ' VAL . 13.8 ttmm -56.76 -41.58 77.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.117 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ttm -60.06 -37.19 79.14 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.177 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 19.9 mmtp -71.35 -46.41 60.56 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.82 -178.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.78 ' HB2' HG21 ' B' ' 186' ' ' VAL . 21.9 mtpp -84.68 -41.76 15.97 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.485 ' HB2' ' O ' ' A' ' 71' ' ' LYS . 24.7 mtp -83.39 38.59 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.876 0.369 . . . . 0.0 111.59 -179.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.53 179.11 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 58.0 t30 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 63.6 95.04 0.05 OUTLIER 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.769 0.668 . . . . 0.0 110.732 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 65.97 -91.27 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.182 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -154.17 -71.62 0.13 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.668 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -174.04 157.79 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 176' ' ' SER . . . . . 0.466 ' HB3' ' CD ' ' A' ' 19' ' ' LYS . 6.8 m -67.55 85.3 0.18 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.141 0.496 . . . . 0.0 110.235 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . 0.561 ' HG2' ' HD3' ' A' ' 20' ' ' LYS . 4.3 mt-10 -148.16 31.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.995 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' B' ' 178' ' ' GLU . 3.0 pm0 -110.7 3.55 19.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.8 0.81 . . . . 0.0 109.023 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . 0.513 ' HG2' ' HB3' ' A' ' 19' ' ' LYS . 5.1 tp10 -78.57 -176.77 5.0 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.508 -1.223 . . . . 0.0 110.426 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 180' ' ' THR . . . . . 0.634 HG22 HE22 ' A' ' 60' ' ' GLN . 2.2 m -129.75 -50.21 1.14 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.587 0.708 . . . . 0.0 110.658 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.659 HG21 ' HA ' ' A' ' 60' ' ' GLN . 1.7 t -127.33 96.02 3.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.056 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 182' ' ' GLU . . . . . 0.549 ' HG2' ' HA ' ' A' ' 18' ' ' ARG . 1.1 tm-20 -58.99 133.05 55.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.331 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . 0.94 ' HB3' ' HB ' ' A' ' 17' ' ' THR . 0.6 OUTLIER -127.46 112.82 15.4 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.218 0.532 . . . . 0.0 111.466 -178.647 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 184' ' ' SER . . . . . 0.407 ' HB3' ' H ' ' B' ' 185' ' ' LEU . 63.4 m -110.38 -154.6 0.54 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.062 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.782 ' HG ' HG23 ' B' ' 186' ' ' VAL . 51.1 tp -107.17 -69.58 0.83 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 186' ' ' VAL . . . . . 0.782 HG23 ' HG ' ' B' ' 185' ' ' LEU . 44.7 t -149.78 77.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 52.25 43.85 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.565 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.83 84.34 4.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.818 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 1.2 m -81.41 -15.32 55.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.12 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.821 -179.739 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 120.449 0.166 . . . . 0.0 110.63 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.843 ' HG2' ' HA ' ' B' ' 182' ' ' GLU . 1.7 tmm_? -161.17 84.15 0.65 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.133 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -138.35 -42.17 0.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.676 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' B' ' 182' ' ' GLU . 2.2 pptp? -123.93 136.61 54.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.517 0.199 . . . . 0.0 110.713 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.477 ' HD3' ' O ' ' B' ' 182' ' ' GLU . 0.0 OUTLIER -53.02 127.51 24.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.1 0.476 . . . . 0.0 111.432 -179.519 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 31.5 m -59.41 139.25 88.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.324 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 22' ' ' CYS . 1.7 Cg_endo -84.72 88.94 0.92 Allowed 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.536 2.824 . . . . 0.0 112.631 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.15 -179.09 4.83 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.39 156.33 21.88 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 120.749 0.309 . . . . 0.0 110.681 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.487 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 47.1 mmtt -62.5 -42.88 99.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.456 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -64.05 -36.88 85.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.848 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.892 ' HG3' HD11 ' A' ' 54' ' ' LEU . 41.4 tt0 -65.51 -40.31 92.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.433 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 7.4 m -67.25 -46.03 74.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.263 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -63.7 -37.97 89.37 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.441 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 16.8 tt0 -67.15 -49.9 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.0 mt -60.25 -40.2 89.45 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.157 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.663 ' HG2' ' HH2' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -61.0 -48.84 79.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.449 0.643 . . . . 0.0 109.459 178.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HE3' ' HB3' ' A' ' 34' ' ' LYS . 17.6 ttpp -57.67 -49.89 74.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.183 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 5.7 mm-40 -62.74 -35.79 80.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.177 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -72.13 -39.62 68.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 37' ' ' LEU . 21.0 mt -70.49 -35.98 73.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 0.0 110.891 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.14 -45.0 28.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.501 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.01 90.29 3.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.36 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 mmt -55.44 -35.44 65.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.747 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -132.79 154.64 50.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.776 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' A' ' 46' ' ' ARG . 75.3 mt -147.02 164.99 31.23 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.681 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.91 173.22 11.39 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.004 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -46.17 89.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.382 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.66 -48.71 71.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.662 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 12.7 tpt180 -61.92 -41.42 97.91 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -64.54 -42.69 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.487 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 84.6 t80 -61.97 -41.37 97.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.177 179.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 53' ' ' VAL . 9.7 tp10 -68.5 -51.8 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.557 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.5 t -54.87 -41.98 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.952 0.406 . . . . 0.0 110.626 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -40.32 87.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.566 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 48' ' ' TYR . 17.1 ttt180 -66.3 -45.1 81.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.944 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 49' ' ' GLU . 61.7 t -62.01 -20.55 24.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.169 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.892 HD11 ' HG3' ' A' ' 28' ' ' GLN . 1.3 tp -96.43 -80.39 0.43 Allowed 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.751 ' N ' ' HG ' ' A' ' 54' ' ' LEU . 59.1 t30 169.75 26.37 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.844 0.458 . . . . 0.0 110.18 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 81.2 mt -133.3 179.97 5.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 111.237 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.481 ' OG1' ' HG2' ' A' ' 60' ' ' GLN . 80.8 p -109.28 177.61 4.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.745 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 38.8 mt-10 -59.57 -43.62 93.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.072 0.463 . . . . 0.0 110.413 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.787 ' HD3' HG22 ' B' ' 180' ' ' THR . 7.8 tmm_? -65.74 -36.56 83.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.414 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.625 ' HB2' ' HB3' ' A' ' 56' ' ' LEU . 14.9 mm100 -65.77 -39.25 90.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 0.0 110.643 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.7 t -77.74 -37.99 24.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -60.68 -46.01 91.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.922 -178.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.1 mt -71.66 -34.61 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.696 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.663 ' HH2' ' HG2' ' A' ' 33' ' ' GLU . 28.0 t90 -64.09 -46.6 83.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -64.08 -35.39 80.6 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -46.56 51.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.895 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.618 ' ND2' ' HB2' ' B' ' 183' ' ' ASP . 2.0 t-20 -61.28 -42.13 98.13 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.674 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -54.53 -39.86 68.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.304 0.573 . . . . 0.0 110.009 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -74.39 -41.17 61.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.791 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 tpt -68.66 -41.57 79.11 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.568 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.649 ' HA ' ' HG2' ' A' ' 74' ' ' LYS . 22.4 mtpp -59.21 -25.66 64.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.339 0.59 . . . . 0.0 110.747 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.549 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 5.8 ttp -82.09 -52.07 7.37 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.258 178.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -66.15 -24.72 66.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.521 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.649 ' HG2' ' HA ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -68.35 -21.21 64.74 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.578 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 38.4 tpp -171.18 94.78 0.18 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.549 ' HB2' ' O ' ' A' ' 72' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.404 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -144.47 28.06 1.35 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 110.439 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -76.98 96.03 4.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.115 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 174' ' ' PHE . . . . . 0.472 ' O ' ' HB3' ' B' ' 175' ' ' ASP . 59.2 t80 -70.36 -16.89 63.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.496 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . 0.472 ' HB3' ' O ' ' B' ' 174' ' ' PHE . 3.6 t70 74.35 134.64 0.05 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.913 0.758 . . . . 0.0 111.143 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 11.4 m 60.65 23.1 12.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.473 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . 0.423 ' HG3' ' HG3' ' B' ' 178' ' ' GLU . 12.9 pt-20 -96.5 -2.39 45.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.897 0.856 . . . . 0.0 108.944 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . 0.423 ' HG3' ' HG3' ' B' ' 177' ' ' GLU . 0.9 OUTLIER -120.95 18.44 11.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.044 -1.434 . . . . 0.0 107.948 178.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . 0.706 ' HG3' ' H ' ' B' ' 180' ' ' THR . 5.9 tp10 -64.33 -177.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.559 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 180' ' ' THR . . . . . 0.787 HG22 ' HD3' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -151.09 160.9 43.61 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.595 ' CG2' ' HA ' ' A' ' 60' ' ' GLN . 1.8 t -75.04 81.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 182' ' ' GLU . . . . . 0.843 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 28.3 mt-10 -45.26 110.97 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.058 0.848 . . . . 0.0 110.85 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . 0.618 ' HB2' ' ND2' ' A' ' 67' ' ' ASN . 4.9 p-10 -96.32 128.24 43.05 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.747 0.784 . . . . 0.0 110.105 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 184' ' ' SER . . . . . 0.433 ' HB2' ' HG3' ' B' ' 187' ' ' GLU . 0.6 OUTLIER -78.14 154.87 30.85 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.956 -179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.645 ' HG ' HG23 ' B' ' 186' ' ' VAL . 21.8 tp -87.91 -83.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.291 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 186' ' ' VAL . . . . . 0.645 HG23 ' HG ' ' B' ' 185' ' ' LEU . 41.4 t -127.36 88.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.366 0.603 . . . . 0.0 110.386 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' B' ' 184' ' ' SER . 0.0 OUTLIER -88.16 -39.34 14.6 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.631 179.596 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.52 ' OD1' ' HG2' ' A' ' 75' ' ' MET . 20.1 t0 65.46 31.29 10.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.948 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.33 -5.69 55.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.419 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.214 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.989 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 121.103 0.478 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 147.15 39.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.106 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' B' ' 184' ' ' SER . 5.9 tptp -101.13 13.95 33.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.676 0.751 . . . . 0.0 109.57 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -127.44 160.99 29.78 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.23 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.524 ' HG3' HG13 ' B' ' 181' ' ' VAL . 1.4 ttp180 -70.13 161.78 29.54 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.903 ' HB3' ' HA ' ' B' ' 178' ' ' GLU . 0.5 OUTLIER -53.27 148.45 16.0 Favored Pre-proline 0 C--O 1.238 0.474 0 O-C-N 123.326 0.391 . . . . 0.0 111.227 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.7 116.1 2.77 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.043 2.496 . . . . 0.0 112.201 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -95.64 133.93 39.12 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.904 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.18 162.66 27.79 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.039 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.607 ' HE3' HD11 ' A' ' 30' ' ' LEU . 44.8 tttp -59.28 -47.48 85.22 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.62 -44.88 93.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.348 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.531 ' HG3' HD22 ' A' ' 54' ' ' LEU . 8.4 tt0 -61.35 -48.53 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.191 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.2 m -57.99 -44.42 87.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.972 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.607 HD11 ' HE3' ' A' ' 26' ' ' LYS . 94.1 mt -61.3 -40.66 94.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.556 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.1 -47.67 76.4 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.527 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 3.8 mm? -61.31 -42.82 99.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.053 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' CD ' HH21 ' A' ' 68' ' ' ARG . 4.8 mm-40 -61.58 -48.04 82.76 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.321 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -55.3 -42.07 73.2 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.859 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -71.32 -49.92 37.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.054 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -62.46 -32.18 73.02 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 mt -71.68 -37.85 70.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.093 0.473 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -46.2 16.64 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.7 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.31 105.28 4.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.9 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.4 mtt -61.21 -11.9 11.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.184 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -135.36 159.39 41.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.156 0.503 . . . . 0.0 109.869 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD22 ' HG2' ' A' ' 46' ' ' ARG . 38.5 mt -133.47 154.1 51.08 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.344 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 47' ' ' ARG . 1.6 p -79.65 176.44 9.71 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.057 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' A' ' 44' ' ' ARG . 7.3 mmt180 -62.84 -48.69 77.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.926 0.393 . . . . 0.0 110.766 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.3 -47.44 76.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.458 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HG2' HD22 ' A' ' 42' ' ' LEU . 41.5 ttt180 -62.23 -41.01 98.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.394 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.592 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 15.6 ttm180 -61.99 -44.95 95.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.856 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -66.65 -39.79 88.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.977 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.5 tp10 -67.33 -50.61 59.34 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.524 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.92 -44.44 82.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.6 93.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.667 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.9 -50.12 75.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.069 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 49' ' ' GLU . 92.5 t -57.49 -31.05 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.246 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.531 HD22 ' HG3' ' A' ' 28' ' ' GLN . 55.6 mt -90.67 2.18 56.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.421 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.84 37.47 18.57 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.96 0.886 . . . . 0.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 60' ' ' GLN . 69.3 mt -135.77 -179.27 5.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.432 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -100.49 177.37 5.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.592 ' HB3' ' HD2' ' A' ' 47' ' ' ARG . 13.0 mt-10 -64.79 -29.3 70.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.255 -177.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.434 HH11 HG23 ' B' ' 181' ' ' VAL . 6.6 ttm105 -61.82 -37.26 83.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.073 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.427 ' HG2' HD22 ' A' ' 56' ' ' LEU . 18.4 mp0 -65.62 -37.99 88.16 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.855 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.9 t -77.06 -48.55 24.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.763 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.477 ' HE2' ' HB3' ' A' ' 62' ' ' LYS . 10.6 ttpt -58.34 -47.22 84.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.878 -178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.596 HD12 ' HB ' ' B' ' 181' ' ' VAL . 75.2 mt -72.79 -33.54 44.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.651 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.527 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 25.9 t90 -64.64 -40.46 95.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -61.68 -40.31 94.51 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.582 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -36.64 69.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.426 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.479 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 1.2 m-20 -61.36 -47.51 85.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.837 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.405 HH21 ' CD ' ' A' ' 33' ' ' GLU . 16.8 tpt180 -64.36 -38.73 92.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.081 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 69' ' ' ARG . 20.0 tpt85 -65.27 -41.31 94.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.193 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.632 ' HB2' HG21 ' B' ' 186' ' ' VAL . 73.0 mtm -69.92 -34.33 73.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.036 0.446 . . . . 0.0 109.807 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.701 ' HA ' HG13 ' B' ' 186' ' ' VAL . 3.5 tmtm? -64.06 -28.28 69.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.221 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.7 ttt -61.82 -41.75 98.16 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.554 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 70' ' ' MET . 0.1 OUTLIER -88.7 -55.59 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.158 -0.928 . . . . 0.0 113.055 -178.597 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' CB ' HG12 ' B' ' 186' ' ' VAL . 10.3 mtmt -78.28 -74.31 0.28 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.713 ' HA ' ' HB3' ' B' ' 188' ' ' ASP . 35.2 ttp -79.18 58.31 2.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.502 0.668 . . . . 0.0 110.552 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 . . . . . 0 C--O 1.251 1.184 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.514 -179.281 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 64.46 -165.13 0.24 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.451 0.469 . . . . 0.0 110.546 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . 0.52 ' HB2' ' HG2' ' B' ' 177' ' ' GLU . 2.0 pm0 -99.91 68.11 1.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.287 0.565 . . . . 0.0 110.991 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -97.1 -22.0 17.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.329 0.585 . . . . 0.0 110.387 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -130.96 144.31 51.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.184 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 44.0 m 66.28 19.03 11.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.26 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' B' ' 173' ' ' GLU . 0.9 OUTLIER -113.86 13.83 18.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.469 0.652 . . . . 0.0 110.548 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . 0.903 ' HA ' ' HB3' ' A' ' 22' ' ' CYS . 45.9 mt-10 -109.91 -4.8 15.75 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -97.45 -22.72 16.42 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.933 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 180' ' ' THR . . . . . . . . . . . . . 3.7 m -73.19 132.47 43.24 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.358 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.596 ' HB ' HD12 ' A' ' 63' ' ' ILE . 1.8 t -122.57 72.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 182' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.59 131.45 43.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.365 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . 0.402 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 8.9 p-10 -95.93 13.05 28.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.59 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 184' ' ' SER . . . . . 0.513 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 4.6 m -92.47 28.79 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.693 0.759 . . . . 0.0 109.888 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.87 -16.75 43.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.1 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 186' ' ' VAL . . . . . 0.701 HG13 ' HA ' ' A' ' 71' ' ' LYS . 4.4 t -100.04 68.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.445 -178.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -106.83 77.69 1.19 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.049 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.713 ' HB3' ' HA ' ' A' ' 75' ' ' MET . 14.7 t0 -144.42 115.44 7.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.055 0.455 . . . . 0.0 110.373 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 4.3 m -104.05 -58.41 1.88 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.195 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.887 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.528 ' OG1' ' HB3' ' A' ' 21' ' ' ARG . 17.1 p . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.492 0.187 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 7.3 tpm_? -69.94 -24.71 63.4 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.696 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.547 ' HG3' ' HB3' ' B' ' 176' ' ' SER . 23.1 tttm -169.01 -67.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 110.85 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' B' ' 183' ' ' ASP . 35.4 mtmt -106.34 120.85 42.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.907 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' B' ' 180' ' ' THR . 0.0 OUTLIER -132.99 149.57 52.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.542 179.148 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.8 OUTLIER -122.1 133.96 24.56 Favored Pre-proline 0 C--N 1.316 -0.873 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 177.426 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.715 ' HG2' ' HG ' ' A' ' 56' ' ' LEU . 78.1 Cg_endo -97.75 17.38 0.55 Allowed 'Trans proline' 0 N--CA 1.45 -1.038 0 C-N-CA 122.69 2.26 . . . . 0.0 112.833 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.672 ' HD2' HD21 ' A' ' 56' ' ' LEU . 12.9 p90 -122.4 141.16 51.88 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.593 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 p -89.22 173.1 8.59 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.634 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 68.1 mmtt -58.78 -41.65 87.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 118.106 0.412 . . . . 0.0 110.553 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -61.3 -44.96 96.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.307 0.575 . . . . 0.0 109.855 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -66.15 -33.57 76.07 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.589 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -67.84 -41.07 83.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 26' ' ' LYS . 85.8 mt -61.93 -41.95 98.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.523 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 13.2 tt0 -66.28 -42.39 88.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.795 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 13.8 mt -60.35 -40.05 89.35 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.11 178.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.87 -45.33 94.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.811 0.815 . . . . 0.0 109.866 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -58.79 -35.11 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.422 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 5.6 mm-40 -76.91 -40.04 48.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.969 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.597 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 8.1 t80 -56.88 -51.19 70.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.234 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.86 -42.96 99.95 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.707 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.41 -49.67 72.83 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.21 91.31 2.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.49 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -69.64 -28.83 66.23 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.374 0.607 . . . . 0.0 110.493 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 131.24 35.42 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.399 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.43 ' HG ' ' HD2' ' A' ' 46' ' ' ARG . 5.1 mp -135.64 169.88 16.85 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-O 121.149 0.499 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.471 ' H ' ' HB3' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -118.88 175.94 5.51 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.165 179.299 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -47.94 82.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 0.0 110.769 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.58 -50.36 65.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.789 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HB3' ' H ' ' A' ' 43' ' ' THR . 36.0 ttm180 -57.89 -41.4 82.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.05 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -63.33 -46.12 88.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.234 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -68.55 -34.75 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.592 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.52 -53.87 24.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.163 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.04 -40.28 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -60.12 -49.63 76.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.189 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' A' ' 52' ' ' ARG . 9.5 tpt180 -66.23 -40.56 90.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.759 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.4 t -54.62 -38.73 43.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.418 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.5 mt -94.42 -91.5 0.2 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.588 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -177.09 34.85 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.715 ' HG ' ' HG2' ' A' ' 23' ' ' PRO . 6.3 mp -124.17 -178.74 4.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.919 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.688 ' H ' ' HB2' ' A' ' 60' ' ' GLN . 71.2 p -112.09 174.03 6.08 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 1.7 mp0 -61.32 -37.51 83.53 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -72.53 -41.86 65.39 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.799 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.688 ' HB2' ' H ' ' A' ' 57' ' ' THR . 36.6 mt-30 -62.15 -38.54 89.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.848 0.356 . . . . 0.0 110.549 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.7 t -77.32 -41.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.048 0.452 . . . . 0.0 110.531 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 11.8 ttpt -60.34 -46.92 88.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.479 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.4 mt -65.09 -44.68 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.461 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.449 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 85.7 t90 -62.71 -43.62 98.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.089 0.471 . . . . 0.0 109.784 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' A' ' 36' ' ' PHE . 1.2 m-85 -63.48 -39.86 95.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.17 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -71.15 -38.5 72.22 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.218 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.48 ' HB3' HD23 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -63.56 -45.96 88.09 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.482 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.488 ' HB3' ' CE2' ' A' ' 36' ' ' PHE . 9.2 mmm180 -61.38 -39.11 89.46 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.332 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.8 -43.03 69.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.428 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 66.2 mtm -63.25 -32.38 73.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.952 0.406 . . . . 0.0 110.585 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.695 ' HA ' HG13 ' B' ' 186' ' ' VAL . 3.3 tmtm? -68.44 -26.37 65.48 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.171 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.3 ttm -76.66 -39.76 51.22 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.269 0.557 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 73' ' ' LYS . 3.3 mtmt -87.97 -48.6 7.65 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.177 -0.919 . . . . 0.0 113.288 -178.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -84.41 -45.05 13.11 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.008 0.374 . . . . 0.0 112.008 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.959 ' HG2' ' HB3' ' B' ' 188' ' ' ASP . 11.2 mtp -82.28 57.99 3.85 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.332 0.587 . . . . 0.0 110.18 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.384 -179.315 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 172' ' ' GLN . . . . . 0.417 HE21 ' HB2' ' B' ' 172' ' ' GLN . 0.2 OUTLIER -136.08 30.29 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.547 0.689 . . . . 0.0 109.593 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -100.27 34.04 2.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.698 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -71.06 -66.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.447 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.5 -168.24 1.94 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.275 0.56 . . . . 0.0 110.975 -178.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 176' ' ' SER . . . . . 0.547 ' HB3' ' HG3' ' A' ' 19' ' ' LYS . 16.7 m -104.0 120.47 41.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.849 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -160.44 44.42 0.2 Allowed 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.314 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.18 -5.9 9.94 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.783 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.4 -177.73 3.43 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.249 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 180' ' ' THR . . . . . 0.622 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -165.29 -68.96 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.472 0.653 . . . . 0.0 110.4 179.205 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 16.3 t -73.1 99.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.794 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 182' ' ' GLU . . . . . 0.414 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 11.1 tt0 -33.51 108.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.133 -1.394 . . . . 0.0 113.953 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . 0.447 ' H ' ' HG2' ' A' ' 20' ' ' LYS . 5.1 t70 -99.64 -144.39 0.33 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.55 -1.205 . . . . 0.0 107.952 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 3.5 m 61.62 32.9 18.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.131 0.491 . . . . 0.0 111.412 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 67' ' ' ASN . 52.9 tp -91.42 -28.3 17.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 186' ' ' VAL . . . . . 0.695 HG13 ' HA ' ' A' ' 71' ' ' LYS . 2.3 t -104.83 74.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.719 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -83.05 -32.11 27.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.219 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.959 ' HB3' ' HG2' ' A' ' 75' ' ' MET . 21.2 t70 -74.42 94.37 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 2.8 m -101.46 -48.58 4.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.135 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.446 -179.652 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.654 ' HB ' ' H ' ' B' ' 183' ' ' ASP . 17.7 m . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 121.014 0.435 . . . . 0.0 110.752 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -86.92 -8.54 57.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.117 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -70.73 -13.32 62.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.91 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.575 ' HA ' ' HG3' ' B' ' 182' ' ' GLU . 4.0 mtmp? 68.93 166.8 0.27 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.644 0.59 . . . . 0.0 111.949 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.572 ' N ' ' HB2' ' B' ' 182' ' ' GLU . 0.0 OUTLIER -91.94 167.51 12.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.992 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' B' ' 179' ' ' GLU . 16.1 m -60.52 154.76 53.44 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.673 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.88 89.04 0.18 Allowed 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.842 2.362 . . . . 0.0 112.874 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' HD2' HH21 ' A' ' 21' ' ' ARG . 0.3 OUTLIER -78.98 137.28 37.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.734 HG23 ' H ' ' A' ' 28' ' ' GLN . 10.3 t -73.04 159.42 33.65 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.857 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -57.48 -40.91 79.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.746 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -58.28 -48.53 80.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 110.934 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.734 ' H ' HG23 ' A' ' 25' ' ' THR . 49.6 tt0 -63.0 -44.51 95.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.273 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.695 ' HA ' ' CH2' ' A' ' 64' ' ' TRP . 21.8 m -60.84 -50.09 74.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.068 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.13 -36.46 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.384 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -63.54 -51.03 67.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.688 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.608 HD12 ' CE3' ' A' ' 64' ' ' TRP . 0.1 OUTLIER -68.6 -44.82 73.49 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.953 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' THR . 6.8 mt-10 -57.21 -39.23 75.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.648 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.88 -44.55 95.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.43 -33.09 74.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.55 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 57.4 t80 -71.73 -39.35 70.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.36 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.8 mt -68.53 -35.33 77.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.364 0.602 . . . . 0.0 110.199 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -73.08 -51.79 16.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.3 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.35 90.31 2.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.071 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.6 mtt -62.86 -35.39 79.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.399 0.618 . . . . 0.0 109.996 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.65 131.29 42.05 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.334 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.579 HD22 ' HG2' ' A' ' 46' ' ' ARG . 15.3 mt -143.91 176.58 9.16 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.342 0.592 . . . . 0.0 110.633 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.8 157.74 16.75 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.793 178.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -59.16 -46.73 87.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.937 0.399 . . . . 0.0 110.469 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.57 -44.4 97.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.176 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.579 ' HG2' HD22 ' A' ' 42' ' ' LEU . 26.4 tpt180 -64.21 -41.64 96.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.776 179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -63.97 -41.24 97.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.982 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 52' ' ' ARG . 20.1 t80 -65.03 -38.78 92.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 53' ' ' VAL . 39.6 tt0 -64.51 -54.03 38.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.103 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.7 t -55.33 -41.8 63.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.986 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB2' HG21 ' A' ' 61' ' ' VAL . . . -66.12 -42.46 89.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.851 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 52' ' ' ARG . 2.2 ttt180 -65.72 -39.77 91.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.364 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 49' ' ' GLU . 25.4 t -50.4 -39.48 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.744 178.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.6 mt -91.71 -84.53 0.26 Allowed 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 t30 178.99 18.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.503 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.722 ' HB3' ' HG2' ' A' ' 60' ' ' GLN . 1.2 mm? -106.53 177.45 4.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.096 0.474 . . . . 0.0 111.405 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.85 178.56 4.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.233 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.56 -44.13 97.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.508 . . . . 0.0 110.723 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' O ' HG12 ' A' ' 63' ' ' ILE . 22.7 ttt180 -60.48 -39.13 86.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.162 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.722 ' HG2' ' HB3' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -67.7 -37.48 82.32 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.499 -178.438 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.539 HG21 ' HB2' ' A' ' 51' ' ' ALA . 54.9 t -75.7 -36.97 35.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.956 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -64.09 -48.43 76.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.344 0.592 . . . . 0.0 110.689 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.493 ' HB ' ' CG1' ' B' ' 181' ' ' VAL . 45.6 mm -71.54 -37.05 62.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.842 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.695 ' CH2' ' HA ' ' A' ' 29' ' ' THR . 6.7 t90 -61.08 -43.25 99.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 110.48 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 36' ' ' PHE . 15.1 m-30 -73.87 -29.44 62.09 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 121.39 0.614 . . . . 0.0 110.567 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -33.89 76.12 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.78 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.605 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 3.8 t-20 -60.32 -39.4 86.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.052 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -59.25 -41.86 89.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.18 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -73.55 -38.73 65.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.579 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.541 ' HG2' ' HA ' ' A' ' 67' ' ' ASN . 2.5 ptm -62.44 -28.84 70.08 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 67' ' ' ASN . 4.7 mmmm -65.47 -29.66 70.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.337 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.9 ttp -80.05 -48.72 12.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.149 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -71.07 -14.69 62.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.007 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 1.008 ' HB2' ' HB ' ' B' ' 186' ' ' VAL . 13.3 pttt -49.14 -30.99 7.42 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.014 0.435 . . . . 0.0 111.812 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.746 ' HG3' ' HA ' ' B' ' 190' ' ' GLU . 23.1 ttm -155.29 75.93 0.96 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.54 -179.524 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 171' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.868 0.366 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 172' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.07 141.54 46.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 173' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -95.38 74.75 3.33 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 174' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -115.41 -4.24 12.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.036 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 175' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -148.15 27.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.575 0.702 . . . . 0.0 109.945 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 1.2 m -132.27 22.76 4.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.678 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -159.87 28.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.63 27.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.258 0.551 . . . . 0.0 110.512 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . 0.614 ' HB2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -89.15 -173.44 4.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.995 179.348 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 180' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.82 153.23 21.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.366 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.493 ' CG1' ' HB ' ' A' ' 63' ' ' ILE . 24.4 t -74.98 97.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.599 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 182' ' ' GLU . . . . . 0.575 ' HG3' ' HA ' ' A' ' 20' ' ' LYS . 44.4 tt0 -38.74 117.01 0.61 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 114.38 -1.282 . . . . 0.0 112.102 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . 0.654 ' H ' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -151.61 152.22 32.58 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.441 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 184' ' ' SER . . . . . . . . . . . . . 22.0 m 71.04 135.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.977 0.798 . . . . 0.0 111.217 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 22.9 tp -165.13 -65.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.374 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 186' ' ' VAL . . . . . 1.008 ' HB ' ' HB2' ' A' ' 74' ' ' LYS . 1.9 t -130.32 87.57 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -79.48 64.74 4.45 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.116 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 25.2 t0 58.48 33.55 23.2 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.714 0.769 . . . . 0.0 110.386 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 189' ' ' SER . . . . . . . . . . . . . 5.1 m -79.71 -10.7 59.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.354 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . 0.746 ' HA ' ' HG3' ' A' ' 75' ' ' MET . 4.2 tt0 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.404 -179.557 . . . . . . . . 1 1 . 1 stop_ save_